2-(azepan-1-ylsulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(azepan-1-ylsulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(azepan-1-ylsulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(1-azepanylsulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(azepan-1-ylsulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(azepan-1-ylsulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H30N2O4S/c1-28-21-16-19-12-15-25(30(26,27)24-13-8-3-4-9-14-24)23(18-10-6-5-7-11-18)20(19)17-22(21)29-2/h5-7,10-11,16-17,23H,3-4,8-9,12-15H2,1-2H3