[4-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(phenylsulfonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[benzenesulfonyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[besyl(isobutyl)amino]methyl]phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-4-26(21,22)25-18-12-10-17(11-13-18)15-20(14-16(2)3)27(23,24)19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3