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

Systemtic Name: [3-[[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isobutyl(2-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[2-methylpropyl(2-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(2-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=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

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