N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-6-8-18(15-21(16)30(26,27)24-10-4-2-3-5-11-24)23-22(25)17-7-9-19-20(14-17)29-13-12-28-19/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,25)