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

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25N4O4S2+ MolecularWeight: 437.5562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S2/c1-14-5-6-16(15(2)12-14)20-19(25)21-17(24)13-22-7-9-23(10-8-22)29(26,27)18-4-3-11-28-18/h3-6,11-12H,7-10,13H2,1-2H3,(H2,20,21,24,25)/p+1