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

Systemtic Name: (6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)-[4-(phenylmethyl)piperazin-1-yl]methanolate Openeye Name: (4-benzylpiperazin-1-yl)-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: (6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)-[4-(phenylmethyl)-1-piperazinyl]methanolate IUPAC Name: (4-benzylpiperazin-1-yl)-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: (4-benzylpiperazino)-(6-mesyliminocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C19H22N3O3S- MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C1C=CC=CC1=C(N2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CS(=O)(=O)N=C1C=CC=CC1=C(N2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H23N3O3S/c1-26(24,25)20-18-10-6-5-9-17(18)19(23)22-13-11-21(12-14-22)15-16-7-3-2-4-8-16/h2-10,23H,11-15H2,1H3/p-1