2-[7-methoxy-1-(phenylsulfonyl)indol-4-yl]-2-piperazin-1-yl-ethanenitrile

Systemtic Name: 2-[7-methoxy-1-(phenylsulfonyl)indol-4-yl]-2-piperazin-1-yl-ethanenitrile Openeye Name: 2-[1-(benzenesulfonyl)-7-methoxy-indol-4-yl]-2-piperazin-1-yl-acetonitrile CAS Name: 2-[1-(benzenesulfonyl)-7-methoxy-4-indolyl]-2-(1-piperazinyl)acetonitrile IUPAC Name: 2-[1-(benzenesulfonyl)-7-methoxyindol-4-yl]-2-piperazin-1-ylacetonitrile Traditional Name: 2-(1-besyl-7-methoxy-indol-4-yl)-2-piperazino-acetonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(C#N)N3CCNCC3)C=CN2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)C(C#N)N3CCNCC3)C=CN2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-28-20-8-7-17(19(15-22)24-13-10-23-11-14-24)18-9-12-25(21(18)20)29(26,27)16-5-3-2-4-6-16/h2-9,12,19,23H,10-11,13-14H2,1H3