methyl 2-[6,7-diethoxy-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-diethoxy-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-(2-benzylsulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetate CAS Name: 2-[6,7-diethoxy-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-(2-benzylsulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-benzylsulfonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid methyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)CC3=CC=CC=C3)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)CC3=CC=CC=C3)CC(=O)OC)OCC

InChI

InChI=1S/C23H29NO6S/c1-4-29-21-13-18-11-12-24(31(26,27)16-17-9-7-6-8-10-17)20(15-23(25)28-3)19(18)14-22(21)30-5-2/h6-10,13-14,20H,4-5,11-12,15-16H2,1-3H3