ethyl 4-nitro-3-[3-[2-(phenylsulfonylmethyl)phenyl]propanoylamino]benzoate

Systemtic Name: ethyl 4-nitro-3-[3-[2-(phenylsulfonylmethyl)phenyl]propanoylamino]benzoate Openeye Name: ethyl 3-[3-[2-(benzenesulfonylmethyl)phenyl]propanoylamino]-4-nitro-benzoate CAS Name: 3-[[3-[2-(benzenesulfonylmethyl)phenyl]-1-oxopropyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(benzenesulfonylmethyl)phenyl]propanoylamino]-4-nitrobenzoate Traditional Name: 3-[3-[2-(besylmethyl)phenyl]propanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O7S/c1-2-34-25(29)19-12-14-23(27(30)31)22(16-19)26-24(28)15-13-18-8-6-7-9-20(18)17-35(32,33)21-10-4-3-5-11-21/h3-12,14,16H,2,13,15,17H2,1H3,(H,26,28)