N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N2O5S/c1-16-21(29-20-12-5-4-11-19(20)28-16)22(25)23-17-9-8-10-18(15-17)30(26,27)24-13-6-2-3-7-14-24/h4-5,8-12,15-16,21H,2-3,6-7,13-14H2,1H3,(H,23,25)