methyl 2-[[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxidanylidene-azepan-3-yl)amino]methyl]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxidanylidene-azepan-3-yl)amino]methyl]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxo-azepan-3-yl)amino]methyl]benzoyl]amino]acetate CAS Name: 2-[[[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxo-3-azepanyl)amino]methyl]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[(4-chlorophenyl)sulfonyl-(5,5-dimethyl-2-oxoazepan-3-yl)amino]methyl]benzoyl]amino]acetate Traditional Name: 2-[[4-[[(4-chlorophenyl)sulfonyl-(2-keto-5,5-dimethyl-azepan-3-yl)amino]methyl]benzoyl]amino]acetic acid methyl ester Formula: C25H30ClN3O6S MolecularWeight: 536.0402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3O6S/c1-25(2)12-13-27-24(32)21(14-25)29(36(33,34)20-10-8-19(26)9-11-20)16-17-4-6-18(7-5-17)23(31)28-15-22(30)35-3/h4-11,21H,12-16H2,1-3H3,(H,27,32)(H,28,31)