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

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3-chloranyl-4-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(3-chloro-4-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-chloro-4-methylphenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3-chloro-4-methylphenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(3-chloro-4-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N)Cl

InChI

InChI=1S/C23H21ClN2O5S/c1-15-7-12-19(13-20(15)24)32(30,31)26(14-16-8-10-18(11-9-16)23(28)29)21(22(25)27)17-5-3-2-4-6-17/h2-13,21H,14H2,1H3,(H2,25,27)(H,28,29)