N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCNC(=O)C3=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCNC(=O)C3=CSC=C3)C

InChI

InChI=1S/C21H27N3O4S2/c1-16-5-6-19(17(2)14-16)30(27,28)24-11-9-23(10-12-24)20(25)4-3-8-22-21(26)18-7-13-29-15-18/h5-7,13-15H,3-4,8-12H2,1-2H3,(H,22,26)