N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-2-(4-propanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-2-(4-propanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-(4-propanoylpiperazin-1-yl)-1-(p-tolylsulfonyl)ethyl]thiophene-2-carboxamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(1-oxopropyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-(4-propionylpiperazino)-1-tosyl-ethyl]thiophene-2-carboxamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O5S2/c1-3-18(25)23-10-12-24(13-11-23)21(27)20(22-19(26)17-5-4-14-30-17)31(28,29)16-8-6-15(2)7-9-16/h4-9,14,20H,3,10-13H2,1-2H3,(H,22,26)