[4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)methanone Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H30N2O5S/c1-18-22-17-24(32-3)23(31-2)16-20(22)12-15-27(18)25(28)19-8-10-21(11-9-19)33(29,30)26-13-6-4-5-7-14-26/h8-11,16-17H,1,4-7,12-15H2,2-3H3