[4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(phenylmethyl)piperazin-1-yl]methanolate

Systemtic Name: [4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[4-(phenylmethyl)piperazin-1-yl]methanolate Openeye Name: (4-benzylpiperazin-1-yl)-[4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [4-(4-methyl-3-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]-[4-(phenylmethyl)-1-piperazinyl]methanolate IUPAC Name: (4-benzylpiperazin-1-yl)-[4-(4-methyl-3-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: (4-benzylpiperazino)-[4-(4-methyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Formula: C25H25N4O5S- MolecularWeight: 493.5548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N=C2C=CC(=C(N3CCN(CC3)CC4=CC=CC=C4)[O-])C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N=C2C=CC(=C(N3CCN(CC3)CC4=CC=CC=C4)[O-])C=C2)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c1-19-7-12-23(17-24(19)29(31)32)35(33,34)26-22-10-8-21(9-11-22)25(30)28-15-13-27(14-16-28)18-20-5-3-2-4-6-20/h2-12,17,30H,13-16,18H2,1H3/p-1