N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloranyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloranyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloro-N-(4-pyridylmethyl)pyridine-3-carboxamide CAS Name: N-[2-(1-azepanylsulfonyl)ethyl]-2-chloro-N-(pyridin-4-ylmethyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-ylsulfonyl)ethyl]-2-chloro-N-(4-pyridylmethyl)nicotinamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CCN(CC2=CC=NC=C2)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O3S/c21-19-18(6-5-9-23-19)20(26)24(16-17-7-10-22-11-8-17)14-15-29(27,28)25-12-3-1-2-4-13-25/h5-11H,1-4,12-16H2