Name: Name:3-methoxy-4-[2-nitro-4-(piperidine-1-sulfonyl)phenoxy]benzaldehyde
Brand: Angene
SKU: AG019IGB
Rating: 90 (10 reviews)

3-methoxy-4-[2-nitro-4-(piperidine-1-sulfonyl)phenoxy]benzaldehyde

CAS No.:

734546-52-2

Catalog Number:

AG019IGB

Molecular Formula:

C19H20N2O7S

Molecular Weight:

420.4363

Catalog Number:

AG019IGB

Chemical Name:

3-methoxy-4-[2-nitro-4-(piperidine-1-sulfonyl)phenoxy]benzaldehyde

CAS Number:

734546-52-2

Molecular Formula:

C19H20N2O7S

Molecular Weight:

420.4363

MDL Number:

MFCD04612890

IUPAC Name:

3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzaldehyde

InChI:

InChI=1S/C19H20N2O7S/c1-27-19-11-14(13-22)5-7-18(19)28-17-8-6-15(12-16(17)21(23)24)29(25,26)20-9-3-2-4-10-20/h5-8,11-13H,2-4,9-10H2,1H3

InChI Key:

ZNSVDZWNRNZRNI-UHFFFAOYSA-N

SMILES:

COc1cc(C=O)ccc1Oc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCCC1

Complexity:

669

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

420.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

420.436g/mol

Monoisotopic Mass:

420.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7