N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]benzamide CAS Name: N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-[4-[4-(2-methoxyphenyl)piperazino]sulfonylphenyl]benzamide Formula: C27H31N3O4S2 MolecularWeight: 525.68274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H31N3O4S2/c1-20(2)35-26-11-7-4-8-23(26)27(31)28-21-12-14-22(15-13-21)36(32,33)30-18-16-29(17-19-30)24-9-5-6-10-25(24)34-3/h4-15,20H,16-19H2,1-3H3,(H,28,31)