N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(mesyl)amino]acetamide Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H29N3O5S/c1-28(24,25)22(16-7-8-17-18(13-16)27-15-26-17)14-19(23)20-9-6-12-21-10-4-2-3-5-11-21/h7-8,13H,2-6,9-12,14-15H2,1H3,(H,20,23)