3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxamide

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxamide Openeye Name: 5-phenyl-3-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxamide CAS Name: 3-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxamide IUPAC Name: 3-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxamide Traditional Name: 5-phenyl-3-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxamide Formula: C24H27N4O4S2+ MolecularWeight: 499.62558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H26N4O4S2/c1-17-7-9-19(10-8-17)34(31,32)28-13-11-27(12-14-28)16-22(29)26-20-15-21(33-23(20)24(25)30)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H2,25,30)(H,26,29)/p+1