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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=C3C=CC(=NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C=C3)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=C3C=CC(=NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C=C3)[O-]

InChI

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