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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H25ClN2O6S/c1-29-19-7-6-16(32(27,28)25-8-4-2-3-5-9-25)14-18(19)24-22(26)15-12-17(23)21-20(13-15)30-10-11-31-21/h6-7,12-14H,2-5,8-11H2,1H3,(H,24,26)