N-(4-methylcyclohexyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-15-2-4-16(5-3-15)21-29(26,27)17-6-7-18(19(14-17)23(24)25)20-8-9-22-10-12-28-13-11-22/h6-7,14-16,20-21H,2-5,8-13H2,1H3/p+1