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

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(4-chlorophenyl)sulfonyl-amino]methyl]-3-methoxy-benzoic acid Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN(C(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN(C(C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O6S/c1-32-20-13-16(23(28)29)7-8-17(20)14-26(21(22(25)27)15-5-3-2-4-6-15)33(30,31)19-11-9-18(24)10-12-19/h2-13,21H,14H2,1H3,(H2,25,27)(H,28,29)