4-[4-[(5-bromanyl-1H-indol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(5-bromanyl-1H-indol-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(5-bromo-1H-indole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(5-bromo-1H-indol-3-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(5-bromo-1H-indole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(5-bromo-1H-indole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CNC3=C2C=C(C=C3)Br)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CNC3=C2C=C(C=C3)Br)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H17BrN4O3S/c21-15-3-6-19-17(11-15)18(13-23-19)20(26)24-7-9-25(10-8-24)29(27,28)16-4-1-14(12-22)2-5-16/h1-6,11,13,23H,7-10H2