N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H29N5O3S/c25-17-19-8-9-23(26-18-19)28-14-10-20(11-15-28)24(30)27-21-6-5-7-22(16-21)33(31,32)29-12-3-1-2-4-13-29/h5-9,16,18,20H,1-4,10-15H2,(H,27,30)