5-[(E)-4-(4-ethylsulfonylpiperazin-1-yl)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

Systemtic Name: 5-[(E)-4-(4-ethylsulfonylpiperazin-1-yl)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile Openeye Name: 5-[(E)-4-(4-ethylsulfonylpiperazin-1-yl)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile CAS Name: 5-[(E)-4-(4-ethylsulfonyl-1-piperazinyl)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinecarbonitrile IUPAC Name: 5-[(E)-4-(4-ethylsulfonylpiperazin-1-yl)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile Traditional Name: 5-[(E)-4-(4-esylpiperazino)but-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]nicotinonitrile Formula: C25H30N6O2S MolecularWeight: 478.6097

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CCC=CC2=C(C(=CN=C2)C#N)NC3=C(C4=C(C=C3)NC=C4)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC/C=C/C2=C(C(=CN=C2)C#N)NC3=C(C4=C(C=C3)NC=C4)C

InChI

InChI=1S/C25H30N6O2S/c1-3-34(32,33)31-14-12-30(13-15-31)11-5-4-6-20-17-27-18-21(16-26)25(20)29-23-7-8-24-22(19(23)2)9-10-28-24/h4,6-10,17-18,28H,3,5,11-15H2,1-2H3,(H,27,29)/b6-4+