methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbamoylamino]benzoate Traditional Name: 3-[(1-tosylpyrrolidin-2-yl)carbamoylamino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2NC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2NC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H23N3O5S/c1-14-8-10-17(11-9-14)29(26,27)23-12-4-7-18(23)22-20(25)21-16-6-3-5-15(13-16)19(24)28-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H2,21,22,25)