[3-[[naphthalen-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[naphthalen-2-ylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[2-naphthalenyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[naphthalene-2-carbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl(2-naphthoyl)amino]methyl]phenyl] ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H25NO4S/c1-4-29(26,27)28-22-11-7-8-18(14-22)16-24(17(2)3)23(25)21-13-12-19-9-5-6-10-20(19)15-21/h5-15,17H,4,16H2,1-3H3