3-(azepan-1-ylsulfonyl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c30-26(23-11-8-12-24(18-23)34(31,32)29-15-6-1-2-7-16-29)28-19-22-13-14-27-25(17-22)33-20-21-9-4-3-5-10-21/h3-5,8-14,17-18H,1-2,6-7,15-16,19-20H2,(H,28,30)