3-(azepan-1-ylsulfonyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[phenyl(2-pyridyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[phenyl(2-pyridinyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[phenyl(2-pyridyl)methyl]benzamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H27N3O3S/c29-25(27-24(20-11-4-3-5-12-20)23-15-6-7-16-26-23)21-13-10-14-22(19-21)32(30,31)28-17-8-1-2-9-18-28/h3-7,10-16,19,24H,1-2,8-9,17-18H2,(H,27,29)