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

Systemtic Name: N-[(1R)-1-phenylbutyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-phenylbutyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-phenylbutyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-phenylbutyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-phenylbutyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-2-7-18(17-8-4-3-5-9-17)21-19(24)16-22-11-13-23(14-12-22)28(25,26)20-10-6-15-27-20/h3-6,8-10,15,18H,2,7,11-14,16H2,1H3,(H,21,24)/p+1/t18-/m1/s1