1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propan-1-one CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]propan-1-one Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H28N4O3S2/c1-17(22(27)26-11-5-7-18-6-3-4-8-20(18)26)30-21-10-9-19(16-23-21)31(28,29)25-14-12-24(2)13-15-25/h3-4,6,8-10,16-17H,5,7,11-15H2,1-2H3