N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H27N3O3S2/c1-15-6-7-18(13-16(15)2)17(3)21-19(24)14-22-8-10-23(11-9-22)28(25,26)20-5-4-12-27-20/h4-7,12-13,17H,8-11,14H2,1-3H3,(H,21,24)/p+1/t17-/m0/s1