1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]-2-(phenylthio)ethanone Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S2/c1-20-7-6-12-28(18-20)34(30,31)22-10-11-24(32-2)23(17-22)26-13-15-27(16-14-26)25(29)19-33-21-8-4-3-5-9-21/h3-5,8-11,17,20H,6-7,12-16,18-19H2,1-2H3