[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21ClN2O5S/c1-14-5-4-6-16(11-14)22-19(24)13-28-20(25)15-7-8-17(21)18(12-15)29(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,24)