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

Systemtic Name: methyl 4-[3-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(4-acetamidophenyl)sulfonyl-phenethylamino]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-acetamidophenyl)sulfonyl-phenethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[(4-acetamidophenyl)sulfonyl-phenethyl-amino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C28H27N3O7S MolecularWeight: 549.59488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)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(CCC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H27N3O7S/c1-19(32)29-22-10-14-24(15-11-22)39(36,37)30(17-16-20-6-4-3-5-7-20)25-18-26(33)31(27(25)34)23-12-8-21(9-13-23)28(35)38-2/h3-15,25H,16-18H2,1-2H3,(H,29,32)