N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S2/c1-28-19-8-7-17(32(26,27)23-10-4-2-3-5-11-23)14-18(19)22-31(24,25)16-6-9-20-21(15-16)30-13-12-29-20/h6-9,14-15,22H,2-5,10-13H2,1H3