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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-3-18(17-8-6-16(2)7-9-17)21-19(24)15-22-10-12-23(13-11-22)28(25,26)20-5-4-14-27-20/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1