N-[3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-(4-tosylpiperazine-1-carbonyl)propyl]thiophene-2-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)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)19(22-20(25)18-5-4-14-29-18)21(26)23-10-12-24(13-11-23)30(27,28)17-8-6-16(3)7-9-17/h4-9,14-15,19H,10-13H2,1-3H3,(H,22,25)