[4-[[2-methylpropyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[benzylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[benzylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[benzylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(CC(C)C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-4-28(25,26)27-20-12-10-19(11-13-20)16-23(15-17(2)3)21(24)22-14-18-8-6-5-7-9-18/h5-13,17H,4,14-16H2,1-3H3,(H,22,24)