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

Systemtic Name: ethyl 4-[3-[(4-bromophenyl)sulfonyl-cycloheptyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-[(4-bromophenyl)sulfonyl-cycloheptyl-amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-bromophenyl)sulfonyl-cycloheptylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-bromophenyl)sulfonyl-cycloheptylamino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[brosyl(cycloheptyl)amino]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C26H29BrN2O6S MolecularWeight: 577.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C3CCCCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H29BrN2O6S/c1-2-35-26(32)18-9-13-20(14-10-18)28-24(30)17-23(25(28)31)29(21-7-5-3-4-6-8-21)36(33,34)22-15-11-19(27)12-16-22/h9-16,21,23H,2-8,17H2,1H3