N-(4-methylcyclohexyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-15-4-6-16(7-5-15)20-28(26,27)17-8-9-18(19(14-17)23(24)25)22-11-3-10-21(2)12-13-22/h8-9,14-16,20H,3-7,10-13H2,1-2H3/p+1