1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(diphenylmethyl)sulfinyl-ethanone

Systemtic Name: 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(diphenylmethyl)sulfinyl-ethanone Openeye Name: 2-benzhydrylsulfinyl-1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3,5-dimethyl-1-piperazinyl)methyl]-1-piperidinyl]-2-(diphenylmethyl)sulfinylethanone IUPAC Name: 2-benzhydrylsulfinyl-1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone Traditional Name: 2-benzhydrylsulfinyl-1-[4-[(3,5-dimethylpiperazino)methyl]piperidino]ethanone Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CC2CCN(CC2)C(=O)CS(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(N1)C)CC2CCN(CC2)C(=O)CS(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2S/c1-21-17-29(18-22(2)28-21)19-23-13-15-30(16-14-23)26(31)20-33(32)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,21-23,27-28H,13-20H2,1-2H3