8-(3,4-dimethoxyphenyl)sulfonyl-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline

Systemtic Name: 8-(3,4-dimethoxyphenyl)sulfonyl-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline Openeye Name: 8-(3,4-dimethoxyphenyl)sulfonyl-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline CAS Name: 8-(3,4-dimethoxyphenyl)sulfonyl-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline IUPAC Name: 8-(3,4-dimethoxyphenyl)sulfonyl-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline Traditional Name: 8-(3,4-dimethoxyphenyl)sulfonyl-7-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepin[2,3-g]isoquinoline Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC(=C(C=C4)OC)OC)OCCCO3

Isomeric SMILES

CC1C2=CC3=C(C=C2CCN1S(=O)(=O)C4=CC(=C(C=C4)OC)OC)OCCCO3

InChI

InChI=1S/C21H25NO6S/c1-14-17-13-21-20(27-9-4-10-28-21)11-15(17)7-8-22(14)29(23,24)16-5-6-18(25-2)19(12-16)26-3/h5-6,11-14H,4,7-10H2,1-3H3