4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-nitrophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-nitrophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(3-nitrophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c23-21(26)20(16-5-2-1-3-6-16)24(14-15-9-11-17(12-10-15)22(27)28)33(31,32)19-8-4-7-18(13-19)25(29)30/h1-13,20H,14H2,(H2,23,26)(H,27,28)