1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]-3-(3-pyridyl)propan-1-one Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CN=CC=C3)C)C

InChI

InChI=1S/C23H31N3O3S/c1-16-17(2)19(4)23(20(5)18(16)3)30(28,29)26-13-11-25(12-14-26)22(27)9-8-21-7-6-10-24-15-21/h6-7,10,15H,8-9,11-14H2,1-5H3