4-[(Z)-[3-[(3-methylphenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]amino]sulfonylbenzoic acid

Systemtic Name: 4-[(Z)-[3-[(3-methylphenyl)amino]-4-oxidanylidene-naphthalen-1-ylidene]amino]sulfonylbenzoic acid Openeye Name: 4-[(Z)-[3-(3-methylanilino)-4-oxo-1-naphthylidene]amino]sulfonylbenzoic acid CAS Name: 4-[(Z)-[3-(3-methylanilino)-4-oxo-1-naphthalenylidene]amino]sulfonylbenzoic acid IUPAC Name: 4-[(Z)-[3-(3-methylanilino)-4-oxonaphthalen-1-ylidene]amino]sulfonylbenzoic acid Traditional Name: 4-[(Z)-[4-keto-3-(m-toluidino)-1-naphthylidene]amino]sulfonylbenzoic acid Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=CC(=NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C/C(=N/S(=O)(=O)C3=CC=C(C=C3)C(=O)O)/C4=CC=CC=C4C2=O

InChI

InChI=1S/C24H18N2O5S/c1-15-5-4-6-17(13-15)25-22-14-21(19-7-2-3-8-20(19)23(22)27)26-32(30,31)18-11-9-16(10-12-18)24(28)29/h2-14,25H,1H3,(H,28,29)/b26-21-