(4-methylsulfonylpiperazin-1-yl)-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: (4-methylsulfonylpiperazin-1-yl)-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: (4-methylsulfonylpiperazin-1-yl)-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: (4-methylsulfonyl-1-piperazinyl)-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: (4-methylsulfonylpiperazin-1-yl)-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: (4-mesylpiperazino)-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C16H18N3O5S3- MolecularWeight: 428.52622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=C2C=CC(=NS(=O)(=O)C3=CC=CS3)C=C2)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=C2C=CC(=NS(=O)(=O)C3=CC=CS3)C=C2)[O-]

InChI

InChI=1S/C16H19N3O5S3/c1-26(21,22)19-10-8-18(9-11-19)16(20)13-4-6-14(7-5-13)17-27(23,24)15-3-2-12-25-15/h2-7,12,20H,8-11H2,1H3/p-1