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

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-chloro-3-nitro-phenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(4-chloro-3-nitro-phenyl)sulfonyl-amino]methyl]benzoic acid Formula: C22H18ClN3O7S MolecularWeight: 503.91222

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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(=C(C=C3)Cl)[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(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN3O7S/c23-18-11-10-17(12-19(18)26(30)31)34(32,33)25(13-14-6-8-16(9-7-14)22(28)29)20(21(24)27)15-4-2-1-3-5-15/h1-12,20H,13H2,(H2,24,27)(H,28,29)