[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-1-phenyl-ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-(3-morpholinosulfonylanilino)-1-phenyl-ethyl] ester Formula: C29H31N3O8S2 MolecularWeight: 613.70174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C29H31N3O8S2/c33-28(30-24-9-6-10-26(21-24)42(37,38)32-17-19-39-20-18-32)27(22-7-2-1-3-8-22)40-29(34)23-11-13-25(14-12-23)41(35,36)31-15-4-5-16-31/h1-3,6-14,21,27H,4-5,15-20H2,(H,30,33)