5-[2-(3-methylsulfonylphenyl)pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-[2-(3-methylsulfonylphenyl)pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile Openeye Name: 5-[2-(3-methylsulfonylphenyl)-4-pyridyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile CAS Name: 5-[2-(3-methylsulfonylphenyl)-4-pyridinyl]-2-(1-piperazinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 5-[2-(3-methylsulfonylphenyl)pyridin-4-yl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile Traditional Name: 5-[2-(3-mesylphenyl)-4-pyridyl]-2-piperazino-1H-pyrrole-3-carbonitrile Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=NC=CC(=C2)C3=CC(=C(N3)N4CCNCC4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=NC=CC(=C2)C3=CC(=C(N3)N4CCNCC4)C#N

InChI

InChI=1S/C21H21N5O2S/c1-29(27,28)18-4-2-3-15(11-18)19-12-16(5-6-24-19)20-13-17(14-22)21(25-20)26-9-7-23-8-10-26/h2-6,11-13,23,25H,7-10H2,1H3