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

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

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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=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H28N2O4S/c1-4-18(3)26(17-19-10-8-13-21(16-19)30-31(28,29)5-2)24(27)25-23-15-9-12-20-11-6-7-14-22(20)23/h6-16,18H,4-5,17H2,1-3H3,(H,25,27)