(3,5-dimethylpiperidin-1-yl)-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methanone

Systemtic Name: (3,5-dimethylpiperidin-1-yl)-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methanone Openeye Name: [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(3,5-dimethyl-1-piperidyl)methanone CAS Name: (3,5-dimethyl-1-piperidinyl)-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methanone IUPAC Name: [3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(3,5-dimethylpiperidin-1-yl)methanone Traditional Name: [3-(4-benzylpiperazino)sulfonylphenyl]-(3,5-dimethylpiperidino)methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H33N3O3S/c1-20-15-21(2)18-27(17-20)25(29)23-9-6-10-24(16-23)32(30,31)28-13-11-26(12-14-28)19-22-7-4-3-5-8-22/h3-10,16,20-21H,11-15,17-19H2,1-2H3