(2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H29N4O5S3+ MolecularWeight: 501.66306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S3/c1-15-7-8-17(31(26,27)22(3)4)14-18(15)21-20(25)16(2)23-9-11-24(12-10-23)32(28,29)19-6-5-13-30-19/h5-8,13-14,16H,9-12H2,1-4H3,(H,21,25)/p+1/t16-/m0/s1