[[1-azanyl-3-[(3,4-dichlorophenyl)amino]-3-oxidanylidene-propylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [[1-azanyl-3-[(3,4-dichlorophenyl)amino]-3-oxidanylidene-propylidene]amino] 4-methylbenzenesulfonate Openeye Name: [[1-amino-3-(3,4-dichloroanilino)-3-oxo-propylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[1-amino-3-(3,4-dichloroanilino)-3-oxopropylidene]amino] ester IUPAC Name: [[1-amino-3-(3,4-dichloroanilino)-3-oxopropylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[1-amino-3-(3,4-dichloroanilino)-3-keto-propylidene]amino] ester Formula: C16H15Cl2N3O4S MolecularWeight: 416.279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)N

InChI

InChI=1S/C16H15Cl2N3O4S/c1-10-2-5-12(6-3-10)26(23,24)25-21-15(19)9-16(22)20-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H2,19,21)(H,20,22)