N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-2-methyl-1-phenylpropyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-2-methyl-1-phenylpropyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-2-methyl-1-phenyl-propyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-16(2)20(17-7-4-3-5-8-17)21-18(24)15-22-10-12-23(13-11-22)28(25,26)19-9-6-14-27-19/h3-9,14,16,20H,10-13,15H2,1-2H3,(H,21,24)/p+1/t20-/m0/s1