N-(4-methylcyclohexyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[(1-methyl-2-imidazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-(1-methylimidazol-2-yl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S2/c1-12-3-5-13(6-4-12)19-27(24,25)14-7-8-16(15(11-14)21(22)23)26-17-18-9-10-20(17)2/h7-13,19H,3-6H2,1-2H3