4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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