[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O7S2 MolecularWeight: 500.97294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21ClN2O7S2/c1-31(26,27)15-7-8-17(21)18(12-15)22-19(24)13-30-20(25)14-5-4-6-16(11-14)32(28,29)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,24)