N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxidanylidene-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(1R)-1-(4-chlorophenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-(4-butyrylpiperazino)-1-(4-chlorophenyl)sulfonyl-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H24ClN3O5S2 MolecularWeight: 498.01536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O5S2/c1-2-4-18(26)24-10-12-25(13-11-24)21(28)20(23-19(27)17-5-3-14-31-17)32(29,30)16-8-6-15(22)7-9-16/h3,5-9,14,20H,2,4,10-13H2,1H3,(H,23,27)/t20-/m1/s1