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

Systemtic Name: [3-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(1-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(1-naphthylsulfonyl)amino]methyl]phenyl] ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H27NO5S2/c1-4-30(25,26)29-21-12-7-9-19(15-21)17-24(16-18(2)3)31(27,28)23-14-8-11-20-10-5-6-13-22(20)23/h5-15,18H,4,16-17H2,1-3H3