[(E)-[2-(diethylamino)-1-(4-ethylphenyl)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[2-(diethylamino)-1-(4-ethylphenyl)-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[2-(diethylamino)-1-(4-ethylphenyl)-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[2-(diethylamino)-1-(4-ethylphenyl)-2-oxoethylidene]amino] ester IUPAC Name: [(E)-[2-(diethylamino)-1-(4-ethylphenyl)-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[2-(diethylamino)-1-(4-ethylphenyl)-2-keto-ethylidene]amino] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=NOS(=O)(=O)C2=CC=C(C=C2)C)C(=O)N(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=N\OS(=O)(=O)C2=CC=C(C=C2)C)/C(=O)N(CC)CC

InChI

InChI=1S/C21H26N2O4S/c1-5-17-10-12-18(13-11-17)20(21(24)23(6-2)7-3)22-27-28(25,26)19-14-8-16(4)9-15-19/h8-15H,5-7H2,1-4H3/b22-20+