N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O5S/c1-17-6-8-19(16-22(17)31(27,28)25-10-4-2-3-5-11-25)24-23(26)15-18-7-9-20-21(14-18)30-13-12-29-20/h6-9,14,16H,2-5,10-13,15H2,1H3,(H,24,26)