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

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfonyl)ethyl]thiophene-2-carboxamide CAS Name: N-[(1R)-1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-(4-butyrylpiperazino)-2-keto-1-tosyl-ethyl]thiophene-2-carboxamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S2/c1-3-5-19(26)24-11-13-25(14-12-24)22(28)21(23-20(27)18-6-4-15-31-18)32(29,30)17-9-7-16(2)8-10-17/h4,6-10,15,21H,3,5,11-14H2,1-2H3,(H,23,27)/t21-/m1/s1