N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(piperonyl)amino]acetamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H29N3O5S/c1-25(15-18-6-11-21-22(14-18)31-17-30-21)16-23(27)24-19-7-9-20(10-8-19)32(28,29)26-12-4-2-3-5-13-26/h6-11,14H,2-5,12-13,15-17H2,1H3,(H,24,27)