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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-[1,3-benzodioxol-5-yl(esyl)amino]acetamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-2-29(25,26)23(17-8-9-18-19(14-17)28-16-27-18)15-20(24)21-10-7-13-22-11-5-3-4-6-12-22/h8-9,14H,2-7,10-13,15-16H2,1H3,(H,21,24)