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

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-o-phenetyl-2-phenyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N3O4S2+ MolecularWeight: 486.62682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N3O4S2/c1-2-31-21-12-7-6-11-20(21)25-24(28)23(19-9-4-3-5-10-19)26-14-16-27(17-15-26)33(29,30)22-13-8-18-32-22/h3-13,18,23H,2,14-17H2,1H3,(H,25,28)/p+1/t23-/m0/s1