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

Systemtic Name: N-[(1R)-1-phenylethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-phenylethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-phenylethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-phenylethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-phenylethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-15(16-6-3-2-4-7-16)19-17(22)14-20-9-11-21(12-10-20)26(23,24)18-8-5-13-25-18/h2-8,13,15H,9-12,14H2,1H3,(H,19,22)/p+1/t15-/m1/s1