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

Systemtic Name: [5-aminocarbonyl-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-carbamoyl-1-(p-tolylsulfonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-carbamoyl-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl] ester IUPAC Name: [5-carbamoyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-carbamoyl-1-tosyl-pyrrolidin-3-yl) ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-13-3-7-16(8-4-13)28(23,24)21-12-15(11-18(21)19(20)22)27-29(25,26)17-9-5-14(2)6-10-17/h3-10,15,18H,11-12H2,1-2H3,(H2,20,22)