2-[[4-[(3-ethanoylimino-2,6-dimethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)amino]-3-methyl-phenyl]amino]butane-1-sulfonic acid

Systemtic Name: 2-[[4-[(3-ethanoylimino-2,6-dimethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)amino]-3-methyl-phenyl]amino]butane-1-sulfonic acid Openeye Name: 2-[4-[(3-acetylimino-2,6-dimethyl-4-oxo-cyclohexa-1,5-dien-1-yl)amino]-3-methyl-anilino]butane-1-sulfonic acid CAS Name: 2-[4-[(3-acetylimino-2,6-dimethyl-4-oxo-1-cyclohexa-1,5-dienyl)amino]-3-methylanilino]-1-butanesulfonic acid IUPAC Name: 2-[4-[(3-acetylimino-2,6-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)amino]-3-methylanilino]butane-1-sulfonic acid Traditional Name: 2-[4-[(3-acetylimino-4-keto-2,6-dimethyl-cyclohexa-1,5-dien-1-yl)amino]-3-methyl-anilino]butane-1-sulfonic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=O)(=O)O)NC1=CC(=C(C=C1)NC2=C(C(=NC(=O)C)C(=O)C=C2C)C)C

Isomeric SMILES

CCC(CS(=O)(=O)O)NC1=CC(=C(C=C1)NC2=C(C(=NC(=O)C)C(=O)C=C2C)C)C

InChI

InChI=1S/C21H27N3O5S/c1-6-16(11-30(27,28)29)23-17-7-8-18(12(2)9-17)24-20-13(3)10-19(26)21(14(20)4)22-15(5)25/h7-10,16,23-24H,6,11H2,1-5H3,(H,27,28,29)