phenyl 2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanesulfonate

Systemtic Name: phenyl 2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanesulfonate Openeye Name: phenyl 2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]ethanesulfonate CAS Name: 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]ethanesulfonate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)CCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)CCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4S/c1-15-8-10-16(11-9-15)19-18(21)14-20(2)12-13-25(22,23)24-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,19,21)