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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(2-pyridyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[phenyl(2-pyridinyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(2-pyridyl)methyl]benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H29N3O4S/c1-33-23-15-14-21(19-24(23)34(31,32)29-17-9-2-3-10-18-29)26(30)28-25(20-11-5-4-6-12-20)22-13-7-8-16-27-22/h4-8,11-16,19,25H,2-3,9-10,17-18H2,1H3,(H,28,30)