(Z)-4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]-3-methyl-but-2-enoic acid

Systemtic Name: (Z)-4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]-3-methyl-but-2-enoic acid Openeye Name: (Z)-4-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]-3-methyl-but-2-enoic acid CAS Name: (Z)-4-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]-3-methyl-2-butenoic acid IUPAC Name: (Z)-4-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]-3-methylbut-2-enoic acid Traditional Name: (Z)-4-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]-3-methyl-but-2-enoic acid Formula: C17H21ClN2O5S MolecularWeight: 400.87704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)CN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C/C(=C/C(=O)O)/CN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O5S/c1-12(10-16(21)22)11-20(15-4-2-3-9-19-17(15)23)26(24,25)14-7-5-13(18)6-8-14/h5-8,10,15H,2-4,9,11H2,1H3,(H,19,23)(H,21,22)/b12-10-