[4-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(1-naphthalenylamino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(1-naphthylcarbamoyl)amino]methyl]phenyl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-4-30(27,28)29-20-14-12-18(13-15-20)16-25(17(2)3)23(26)24-22-11-7-9-19-8-5-6-10-21(19)22/h5-15,17H,4,16H2,1-3H3,(H,24,26)