3-(azepan-1-ylsulfonyl)-N-[3-(cyanomethoxy)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(cyanomethoxy)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(cyanomethoxy)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-(cyanomethoxy)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(cyanomethoxy)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(cyanomethoxy)phenyl]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)OCC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)OCC#N

InChI

InChI=1S/C21H23N3O4S/c22-11-14-28-19-9-6-8-18(16-19)23-21(25)17-7-5-10-20(15-17)29(26,27)24-12-3-1-2-4-13-24/h5-10,15-16H,1-4,12-14H2,(H,23,25)