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

Systemtic Name: [3-[[butan-2-yl-[(phenylmethyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[benzylcarbamoyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[benzylcarbamoyl(butan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[benzylcarbamoyl(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)NCC2=CC=CC=C2

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-4-17(3)23(21(24)22-15-18-10-7-6-8-11-18)16-19-12-9-13-20(14-19)27-28(25,26)5-2/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24)