phenyl 2-[[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[2-(3,4-dichloroanilino)-2-oxo-ethyl]-methyl-amino]ethanesulfonate CAS Name: 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]ethanesulfonate Traditional Name: 2-[[2-(3,4-dichloroanilino)-2-keto-ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H18Cl2N2O4S/c1-21(9-10-26(23,24)25-14-5-3-2-4-6-14)12-17(22)20-13-7-8-15(18)16(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)