3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-propionamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O5S/c1-26(18-21-19-31-23-8-4-5-9-24(23)32-21)25(28)15-12-20-10-13-22(14-11-20)33(29,30)27-16-6-2-3-7-17-27/h4-5,8-11,13-14,21H,2-3,6-7,12,15-19H2,1H3