phenyl 2-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-methyl-amino]ethanesulfonate CAS Name: 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]ethanesulfonate Traditional Name: 2-[[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O5S/c1-21(10-11-27(23,24)26-15-6-4-3-5-7-15)13-18(22)20-16-12-14(19)8-9-17(16)25-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)