1-[1-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]carbonylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-[1-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]carbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-[1-[3-[(1-methylsulfonyl-4-piperidyl)oxy]benzoyl]-3-piperidyl]propan-1-one CAS Name: 1-[1-[[3-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-oxomethyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-[1-[3-(1-methylsulfonylpiperidin-4-yl)oxybenzoyl]piperidin-3-yl]propan-1-one Traditional Name: 1-[1-[3-[(1-mesyl-4-piperidyl)oxy]benzoyl]-3-piperidyl]propan-1-one Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)OC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H30N2O5S/c1-3-20(24)17-7-5-11-22(15-17)21(25)16-6-4-8-19(14-16)28-18-9-12-23(13-10-18)29(2,26)27/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3