N-[(2R)-2-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide

Systemtic Name: N-[(2R)-2-phenyl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Openeye Name: N-[(2R)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide CAS Name: N-[(2R)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-2-phenylethyl]benzenesulfonamide IUPAC Name: N-[(2R)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: N-[(2R)-2-phenyl-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethyl]benzenesulfonamide Formula: C23H26N3O3S2+ MolecularWeight: 456.60084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H25N3O3S2/c27-23(22-12-7-17-30-22)26-15-13-25(14-16-26)21(19-8-3-1-4-9-19)18-24-31(28,29)20-10-5-2-6-11-20/h1-12,17,21,24H,13-16,18H2/p+1/t21-/m0/s1