[4-(phenylmethyl)piperazin-1-yl]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: (4-benzylpiperazin-1-yl)-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(6-thiophen-2-ylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: (4-benzylpiperazin-1-yl)-(6-thiophen-2-ylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: (4-benzylpiperazino)-[6-(2-thienylsulfonylimino)cyclohexa-2,4-dien-1-ylidene]methanolate Formula: C22H22N3O3S2- MolecularWeight: 440.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=C3C=CC=CC3=NS(=O)(=O)C4=CC=CS4)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=C3C=CC=CC3=NS(=O)(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C22H23N3O3S2/c26-22(25-14-12-24(13-15-25)17-18-7-2-1-3-8-18)19-9-4-5-10-20(19)23-30(27,28)21-11-6-16-29-21/h1-11,16,26H,12-15,17H2/p-1