4-(4-tert-butylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-[4-(3-pyridylsulfonyl)piperazino]butan-1-one Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-23(2,3)19-8-10-20(11-9-19)30-17-5-7-22(27)25-13-15-26(16-14-25)31(28,29)21-6-4-12-24-18-21/h4,6,8-12,18H,5,7,13-17H2,1-3H3