1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane Formula: C21H26N2O8S2 MolecularWeight: 498.56974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C21H26N2O8S2/c1-28-18-6-4-16(14-20(18)29-2)32(24,25)22-8-3-9-23(11-10-22)33(26,27)17-5-7-19-21(15-17)31-13-12-30-19/h4-7,14-15H,3,8-13H2,1-2H3