N-[2-(azepan-1-ylsulfonyl)ethyl]-2-ethoxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-ethoxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-ethoxy-N-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-2-ethoxy-N-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-ethoxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-ethoxy-N-(2-pyridylmethyl)nicotinamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N(CCS(=O)(=O)N2CCCCCC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O4S/c1-2-30-21-20(11-9-13-24-21)22(27)25(18-19-10-5-6-12-23-19)16-17-31(28,29)26-14-7-3-4-8-15-26/h5-6,9-13H,2-4,7-8,14-18H2,1H3