3-pyridin-3-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-pyridin-3-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-pyridyl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-pyridinyl)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-pyridin-3-yl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(4-mesitylsulfonylpiperazino)-3-(3-pyridyl)propan-1-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-23(10-12-24)20(25)7-6-19-5-4-8-22-15-19/h4-5,8,13-15H,6-7,9-12H2,1-3H3