[4-(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-methylpiperidin-1-yl)methanolate

Systemtic Name: [4-(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-methylpiperidin-1-yl)methanolate Openeye Name: [4-(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-methyl-1-piperidyl)methanolate CAS Name: [4-(5-tert-butyl-2,3-dimethylphenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]-(4-methyl-1-piperidinyl)methanolate IUPAC Name: [4-(5-tert-butyl-2,3-dimethylphenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-methylpiperidin-1-yl)methanolate Traditional Name: [4-(5-tert-butyl-2,3-dimethyl-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-(4-methylpiperidino)methanolate Formula: C25H33N2O3S- MolecularWeight: 441.60612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=C2C=CC(=NS(=O)(=O)C3=CC(=CC(=C3C)C)C(C)(C)C)C=C2)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=C2C=CC(=NS(=O)(=O)C3=CC(=CC(=C3C)C)C(C)(C)C)C=C2)[O-]

InChI

InChI=1S/C25H34N2O3S/c1-17-11-13-27(14-12-17)24(28)20-7-9-22(10-8-20)26-31(29,30)23-16-21(25(4,5)6)15-18(2)19(23)3/h7-10,15-17,28H,11-14H2,1-6H3/p-1