5-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-1-methylsulfonyl-indole-3-carbonitrile

Systemtic Name: 5-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-1-methylsulfonyl-indole-3-carbonitrile Openeye Name: 5-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-1-methylsulfonyl-indole-3-carbonitrile CAS Name: 5-[3-[4-(1H-indol-4-yl)-1-piperazinyl]propyl]-1-methylsulfonyl-3-indolecarbonitrile IUPAC Name: 5-[3-[4-(1H-indol-4-yl)piperazin-1-yl]propyl]-1-methylsulfonylindole-3-carbonitrile Traditional Name: 5-[3-[4-(1H-indol-4-yl)piperazino]propyl]-1-mesyl-indole-3-carbonitrile Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=C1C=CC(=C2)CCCN3CCN(CC3)C4=CC=CC5=C4C=CN5)C#N

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=C1C=CC(=C2)CCCN3CCN(CC3)C4=CC=CC5=C4C=CN5)C#N

InChI

InChI=1S/C25H27N5O2S/c1-33(31,32)30-18-20(17-26)22-16-19(7-8-25(22)30)4-3-11-28-12-14-29(15-13-28)24-6-2-5-23-21(24)9-10-27-23/h2,5-10,16,18,27H,3-4,11-15H2,1H3