N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-16-7-8-18(15-21(16)32(27,28)25-9-5-3-4-6-10-25)24-23(26)17-13-19(29-2)22-20(14-17)30-11-12-31-22/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,24,26)