(2R)-N-cyclohexyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclohexyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclohexyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclohexyl-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclohexyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclohexyl-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-16-9-10-17(2)20(15-16)28(26,27)24-13-11-23(12-14-24)18(3)21(25)22-19-7-5-4-6-8-19/h9-10,15,18-19H,4-8,11-14H2,1-3H3,(H,22,25)/p+1/t18-/m1/s1