N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3CCCCC3C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H]3CCCC[C@H]3C

InChI

InChI=1S/C22H35N3O3S/c1-3-6-19-9-11-20(12-10-19)29(27,28)25-15-13-24(14-16-25)17-22(26)23-21-8-5-4-7-18(21)2/h9-12,18,21H,3-8,13-17H2,1-2H3,(H,23,26)/p+1/t18-,21+/m1/s1