N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]sulfonylpropyl]-2-(methylthio)benzamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3O4S2/c1-29-19-10-8-18(9-11-19)24-13-15-25(16-14-24)31(27,28)17-5-12-23-22(26)20-6-3-4-7-21(20)30-2/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)