[3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(naphthalen-1-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H28N2O4S/c1-4-31(28,29)30-21-12-7-9-19(15-21)17-26(16-18(2)3)24(27)25-23-14-8-11-20-10-5-6-13-22(20)23/h5-15,18H,4,16-17H2,1-3H3,(H,25,27)