2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-(2-thienyl)ethyl]acetamide Formula: C21H30N3O3S2+ MolecularWeight: 436.6112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H](C)C3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-3-5-18-7-9-19(10-8-18)29(26,27)24-13-11-23(12-14-24)16-21(25)22-17(2)20-6-4-15-28-20/h4,6-10,15,17H,3,5,11-14,16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1