(2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-2-phenyl-N-(p-tolyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-2-phenyl-N-(p-tolyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H26N3O3S2+ MolecularWeight: 456.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H25N3O3S2/c1-18-9-11-20(12-10-18)24-23(27)22(19-6-3-2-4-7-19)25-13-15-26(16-14-25)31(28,29)21-8-5-17-30-21/h2-12,17,22H,13-16H2,1H3,(H,24,27)/p+1/t22-/m0/s1