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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N2O6S/c1-15-8-9-18(30(26,27)23-10-3-4-11-23)13-19(15)21(25)29-14-20(24)22-16-6-5-7-17(12-16)28-2/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,24)