[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-28-15-6-4-5-14(11-15)22-19(24)13-29-20(25)17-12-16(7-8-18(17)21)30(26,27)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,22,24)