[5-(methylcarbamoyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-(methylcarbamoyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-(methylcarbamoyl)-1-(p-tolylsulfonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(methylcarbamoyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [5-(methylcarbamoyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(methylcarbamoyl)-1-tosyl-pyrrolidin-3-yl] ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N2O6S2/c1-14-4-8-17(9-5-14)29(24,25)22-13-16(12-19(22)20(23)21-3)28-30(26,27)18-10-6-15(2)7-11-18/h4-11,16,19H,12-13H2,1-3H3,(H,21,23)