[4-(3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanolate

Systemtic Name: [4-(3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanolate Openeye Name: [4-(3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(2-thienylmethyl)piperazin-1-yl]methanolate CAS Name: [4-(3-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanolate IUPAC Name: [4-(3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanolate Traditional Name: [4-(3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(2-thenyl)piperazino]methanolate Formula: C22H21N4O5S2- MolecularWeight: 485.55594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=C3C=CC(=NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C=C3)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=C3C=CC(=NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C=C3)[O-]

InChI

InChI=1S/C22H22N4O5S2/c27-22(25-12-10-24(11-13-25)16-20-4-2-14-32-20)17-6-8-18(9-7-17)23-33(30,31)21-5-1-3-19(15-21)26(28)29/h1-9,14-15,27H,10-13,16H2/p-1