N-(4-methylcyclohexyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-14-3-5-15(6-4-14)19-27(25,26)16-7-8-17(18(13-16)22(23)24)21-11-9-20(2)10-12-21/h7-8,13-15,19H,3-6,9-12H2,1-2H3/p+1