N-[(1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]cyclohexyl]benzenesulfonamide

Systemtic Name: N-[(1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]cyclohexyl]benzenesulfonamide Openeye Name: N-[(1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]cyclohexyl]benzenesulfonamide CAS Name: N-[(1S,2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]cyclohexyl]benzenesulfonamide IUPAC Name: N-[(1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]cyclohexyl]benzenesulfonamide Traditional Name: N-[(1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]cyclohexyl]benzenesulfonamide Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@@H]3CCCC[C@@H]3NS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H33N3O2S/c1-19-9-8-14-23(20(19)2)26-15-17-27(18-16-26)24-13-7-6-12-22(24)25-30(28,29)21-10-4-3-5-11-21/h3-5,8-11,14,22,24-25H,6-7,12-13,15-18H2,1-2H3/p+1/t22-,24+/m0/s1