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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-[methyl(piperonyl)amino]acetamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-26(15-18-7-9-22-23(13-18)33-17-32-22)16-24(28)25-20-14-19(8-10-21(20)31-2)34(29,30)27-11-5-3-4-6-12-27/h7-10,13-14H,3-6,11-12,15-17H2,1-2H3,(H,25,28)