N-[(1R,2R)-2-methylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R,2R)-2-methylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R,2R)-2-methylcyclohexyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R,2R)-2-methylcyclohexyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R,2R)-2-methylcyclohexyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H28N3O3S2+ MolecularWeight: 386.55252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H27N3O3S2/c1-14-5-2-3-6-15(14)18-16(21)13-19-8-10-20(11-9-19)25(22,23)17-7-4-12-24-17/h4,7,12,14-15H,2-3,5-6,8-11,13H2,1H3,(H,18,21)/p+1/t14-,15-/m1/s1