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

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: (4-benzhydrylpiperazin-1-yl)-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-(6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: (4-benzhydrylpiperazino)-(6-mesyliminocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C25H26N3O3S- MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C1C=CC=CC1=C(N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CS(=O)(=O)N=C1C=CC=CC1=C(N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H27N3O3S/c1-32(30,31)26-23-15-9-8-14-22(23)25(29)28-18-16-27(17-19-28)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,24,29H,16-19H2,1H3/p-1