methyl 4-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(3,4-dimethoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3,4-dimethoxyphenyl)sulfonylprolyl]amino]benzoic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H24N2O7S/c1-28-18-11-10-16(13-19(18)29-2)31(26,27)23-12-4-5-17(23)20(24)22-15-8-6-14(7-9-15)21(25)30-3/h6-11,13,17H,4-5,12H2,1-3H3,(H,22,24)