[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O6S/c1-31-21-9-8-19(16-24(21)34(29,30)27-11-6-4-5-7-12-27)25(28)26-13-10-18-14-22(32-2)23(33-3)15-20(18)17-26/h8-9,14-16H,4-7,10-13,17H2,1-3H3