2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H31N3O4S2/c1-19(24(28)26-11-9-21(10-12-26)17-20-5-3-2-4-6-20)32-23-8-7-22(18-25-23)33(29,30)27-13-15-31-16-14-27/h2-8,18-19,21H,9-17H2,1H3