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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(2-pyridylmethoxy)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[3-(2-pyridinylmethoxy)phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(2-pyridylmethoxy)benzyl]benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4

InChI

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