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

Systemtic Name: [3-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(3-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C21H28N2O4S/c1-5-17(4)23(21(24)22-19-11-7-9-16(3)13-19)15-18-10-8-12-20(14-18)27-28(25,26)6-2/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)