N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H27N4O5S3+ MolecularWeight: 487.63648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S3/c1-15-6-7-16(13-17(15)30(25,26)21(2)3)20-18(24)14-22-8-10-23(11-9-22)31(27,28)19-5-4-12-29-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,20,24)/p+1