[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate CAS Name: [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethoxy]-(6-thiophen-2-ylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: [2-keto-2-(4-mesylpiperazino)ethoxy]-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate Formula: C18H20N3O7S3- MolecularWeight: 486.5623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CS3)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=C2C=CC=CC2=NS(=O)(=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C18H21N3O7S3/c1-30(24,25)21-10-8-20(9-11-21)16(22)13-28-18(23)14-5-2-3-6-15(14)19-31(26,27)17-7-4-12-29-17/h2-7,12,23H,8-11,13H2,1H3/p-1