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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H30N2O5S/c1-30-22-15-18-10-13-25(17-20(18)16-23(22)31-2)24(27)19-8-7-9-21(14-19)32(28,29)26-11-5-3-4-6-12-26/h7-9,14-16H,3-6,10-13,17H2,1-2H3