[3-[[(4-methylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-methylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(p-tolylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-methylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl(p-tolylcarbamoyl)amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C20H26N2O4S/c1-5-27(24,25)26-19-8-6-7-17(13-19)14-22(15(2)3)20(23)21-18-11-9-16(4)10-12-18/h6-13,15H,5,14H2,1-4H3,(H,21,23)