[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C31H36N2O6S MolecularWeight: 564.69234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC)OC

InChI

InChI=1S/C31H36N2O6S/c1-4-22-7-11-25(12-8-22)39-21-28-27-20-30(38-3)29(37-2)19-24(27)15-18-33(28)31(34)23-9-13-26(14-10-23)40(35,36)32-16-5-6-17-32/h7-14,19-20,28H,4-6,15-18,21H2,1-3H3