ethyl (E)-4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]-3-methyl-but-2-enoate

Systemtic Name: ethyl (E)-4-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]-3-methyl-but-2-enoate Openeye Name: ethyl (E)-4-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]-3-methyl-but-2-enoate CAS Name: (E)-4-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]-3-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]-3-methylbut-2-enoate Traditional Name: (E)-4-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]-3-methyl-but-2-enoic acid ethyl ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O5S/c1-3-27-18(23)12-14(2)13-22(17-6-4-5-11-21-19(17)24)28(25,26)16-9-7-15(20)8-10-16/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,21,24)/b14-12+