2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3-pyrrolidinosulfonylbenzoyl)piperazino]isonicotinonitrile Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C21H23N5O3S/c22-16-17-6-7-23-20(14-17)24-10-12-25(13-11-24)21(27)18-4-3-5-19(15-18)30(28,29)26-8-1-2-9-26/h3-7,14-15H,1-2,8-13H2