[4-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(1-naphthylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl(1-naphthalenylsulfonyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(naphthalen-1-ylsulfonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[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=C(C=C1)CN(CC(C)C)S(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

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