[4-(3,4-dichlorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-ethanoylpiperazin-1-yl)methanolate

Systemtic Name: [4-(3,4-dichlorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-ethanoylpiperazin-1-yl)methanolate Openeye Name: (4-acetylpiperazin-1-yl)-[4-(3,4-dichlorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: (4-acetyl-1-piperazinyl)-[4-(3,4-dichlorophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: (4-acetylpiperazin-1-yl)-[4-(3,4-dichlorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: (4-acetylpiperazino)-[4-(3,4-dichlorophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Formula: C19H18Cl2N3O4S- MolecularWeight: 455.33492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=C2C=CC(=NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)C=C2)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=C2C=CC(=NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)C=C2)[O-]

InChI

InChI=1S/C19H19Cl2N3O4S/c1-13(25)23-8-10-24(11-9-23)19(26)14-2-4-15(5-3-14)22-29(27,28)16-6-7-17(20)18(21)12-16/h2-7,12,26H,8-11H2,1H3/p-1