(2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-N-mesityl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-14-12-15(2)19(16(3)13-14)21-20(24)17(4)22-7-9-23(10-8-22)28(25,26)18-6-5-11-27-18/h5-6,11-13,17H,7-10H2,1-4H3,(H,21,24)/p+1/t17-/m0/s1