3-[2-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-methanoyl-piperazin-2-yl]propanenitrile

Systemtic Name: 3-[2-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-methanoyl-piperazin-2-yl]propanenitrile Openeye Name: 3-[2-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-formyl-piperazin-2-yl]propanenitrile CAS Name: 3-[2-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-formyl-2-piperazinyl]propanenitrile IUPAC Name: 3-[2-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-formylpiperazin-2-yl]propanenitrile Traditional Name: 3-[2-[(5-ethynyl-1H-indol-2-yl)sulfonyl]-1-formyl-piperazin-2-yl]propionitrile Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)C3(CNCCN3C=O)CCC#N

Isomeric SMILES

C#CC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)C3(CNCCN3C=O)CCC#N

InChI

InChI=1S/C18H18N4O3S/c1-2-14-4-5-16-15(10-14)11-17(21-16)26(24,25)18(6-3-7-19)12-20-8-9-22(18)13-23/h1,4-5,10-11,13,20-21H,3,6,8-9,12H2