2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]ethanamide

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]ethanamide Openeye Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide Traditional Name: 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]acetamide Formula: C22H32N3O3S2+ MolecularWeight: 450.63778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H31N3O3S2/c1-17(20-6-5-15-29-20)23-21(26)16-24-11-13-25(14-12-24)30(27,28)19-9-7-18(8-10-19)22(2,3)4/h5-10,15,17H,11-14,16H2,1-4H3,(H,23,26)/p+1/t17-/m0/s1