1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-2-(phenylthio)ethanone Formula: C31H37N3O4S2 MolecularWeight: 579.77318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C31H37N3O4S2/c1-38-30-13-12-28(40(36,37)34-16-14-26(15-17-34)22-25-8-4-2-5-9-25)23-29(30)32-18-20-33(21-19-32)31(35)24-39-27-10-6-3-7-11-27/h2-13,23,26H,14-22,24H2,1H3