2-(1-methyl-7-piperazin-1-yl-indol-3-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(1-methyl-7-piperazin-1-yl-indol-3-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(1-methyl-7-piperazin-1-yl-indol-3-yl)sulfonylbenzonitrile CAS Name: 2-[[1-methyl-7-(1-piperazinyl)-3-indolyl]sulfonyl]benzonitrile IUPAC Name: 2-(1-methyl-7-piperazin-1-ylindol-3-yl)sulfonylbenzonitrile Traditional Name: 2-(1-methyl-7-piperazino-indol-3-yl)sulfonylbenzonitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C=C(C2=C1C(=CC=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H20N4O2S/c1-23-14-19(27(25,26)18-8-3-2-5-15(18)13-21)16-6-4-7-17(20(16)23)24-11-9-22-10-12-24/h2-8,14,22H,9-12H2,1H3