2-[1-(phenylsulfonyl)-4-(piperazin-1-ylmethyl)indol-5-yl]oxyethanenitrile

Systemtic Name: 2-[1-(phenylsulfonyl)-4-(piperazin-1-ylmethyl)indol-5-yl]oxyethanenitrile Openeye Name: 2-[1-(benzenesulfonyl)-4-(piperazin-1-ylmethyl)indol-5-yl]oxyacetonitrile CAS Name: 2-[[1-(benzenesulfonyl)-4-(1-piperazinylmethyl)-5-indolyl]oxy]acetonitrile IUPAC Name: 2-[1-(benzenesulfonyl)-4-(piperazin-1-ylmethyl)indol-5-yl]oxyacetonitrile Traditional Name: 2-[1-besyl-4-(piperazinomethyl)indol-5-yl]oxyacetonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(C=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4)OCC#N

Isomeric SMILES

C1CN(CCN1)CC2=C(C=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4)OCC#N

InChI

InChI=1S/C21H22N4O3S/c22-9-15-28-21-7-6-20-18(19(21)16-24-13-10-23-11-14-24)8-12-25(20)29(26,27)17-4-2-1-3-5-17/h1-8,12,23H,10-11,13-16H2