4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(1-imidazolylmethyl)phenyl]methylamino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-(imidazol-1-ylmethyl)benzyl]amino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C24H29N5O4S MolecularWeight: 483.58316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4S/c1-18-2-8-21(9-3-18)27-34(32,33)22-10-11-23(24(14-22)29(30)31)26-15-19-4-6-20(7-5-19)16-28-13-12-25-17-28/h4-7,10-14,17-18,21,26-27H,2-3,8-9,15-16H2,1H3