4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-methylsulfonylindoline-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-mesylindoline-5-carbonyl)piperazino]methyl]benzonitrile Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N4O3S/c1-30(28,29)26-9-8-19-14-20(6-7-21(19)26)22(27)25-12-10-24(11-13-25)16-18-4-2-17(15-23)3-5-18/h2-7,14H,8-13,16H2,1H3