[5-[(2-methylpropan-2-yl)oxycarbonyl-quinolin-3-yl-carbamoyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[(2-methylpropan-2-yl)oxycarbonyl-quinolin-3-yl-carbamoyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-[tert-butoxycarbonyl(3-quinolyl)carbamoyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-(3-quinolinyl)amino]-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: [5-[(2-methylpropan-2-yl)oxycarbonyl-quinolin-3-ylcarbamoyl]pyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[tert-butoxycarbonyl(3-quinolyl)carbamoyl]pyrrolidin-3-yl] ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(NC2)C(=O)N(C3=CC4=CC=CC=C4N=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(NC2)C(=O)N(C3=CC4=CC=CC=C4N=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H29N3O6S/c1-17-9-11-21(12-10-17)36(32,33)35-20-14-23(28-16-20)24(30)29(25(31)34-26(2,3)4)19-13-18-7-5-6-8-22(18)27-15-19/h5-13,15,20,23,28H,14,16H2,1-4H3