2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-(3,5-dimethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-1-(3,5-dimethylpiperidino)propan-1-one Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C22H35N3O3S/c1-16-6-7-19(4)21(13-16)29(27,28)25-10-8-23(9-11-25)20(5)22(26)24-14-17(2)12-18(3)15-24/h6-7,13,17-18,20H,8-12,14-15H2,1-5H3