3-(4-tert-butylphenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[4-(3-pyridylsulfonyl)piperazino]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)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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