3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[phenyl(pyridin-2-yl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[phenyl(pyridin-2-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[phenyl(2-pyridyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[phenyl(2-pyridinyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[phenyl(pyridin-2-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[phenyl(2-pyridyl)methyl]propionamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c31-26(29-27(23-10-4-3-5-11-23)25-12-6-7-19-28-25)18-15-22-13-16-24(17-14-22)34(32,33)30-20-8-1-2-9-21-30/h3-7,10-14,16-17,19,27H,1-2,8-9,15,18,20-21H2,(H,29,31)