2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H24N4O5S2/c1-32(28,29)26-10-4-6-17-15-18(8-9-20(17)26)22(27)24-11-13-25(14-12-24)33(30,31)21-7-3-2-5-19(21)16-23/h2-3,5,7-9,15H,4,6,10-14H2,1H3