1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-(3-pyridyl)propan-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-22(2,3)19-7-9-20(10-8-19)29(27,28)25-15-13-24(14-16-25)21(26)11-6-18-5-4-12-23-17-18/h4-5,7-10,12,17H,6,11,13-16H2,1-3H3