[3-[[(4-methylphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-methylphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(p-tolylsulfonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-methylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methylphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl(tosyl)amino]methyl]phenyl] ester Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S2/c1-5-26(21,22)25-18-8-6-7-17(13-18)14-20(15(2)3)27(23,24)19-11-9-16(4)10-12-19/h6-13,15H,5,14H2,1-4H3