methyl 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptyl-amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptylamino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(4-acetamidophenyl)sulfonyl-cycloheptyl-amino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C27H31N3O7S MolecularWeight: 541.61594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C2CCCCCC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C2CCCCCC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O7S/c1-18(31)28-20-11-15-23(16-12-20)38(35,36)30(22-7-5-3-4-6-8-22)24-17-25(32)29(26(24)33)21-13-9-19(10-14-21)27(34)37-2/h9-16,22,24H,3-8,17H2,1-2H3,(H,28,31)