(2R)-N-cyclopentyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3CCCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-3-6-18-9-11-20(12-10-18)28(26,27)24-15-13-23(14-16-24)17(2)21(25)22-19-7-4-5-8-19/h9-12,17,19H,3-8,13-16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1