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

Systemtic Name: methyl 2-[6,7-diethoxy-2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-diethoxy-2-(4-ethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OCC)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC(=O)OC)OCC)OCC

InChI

InChI=1S/C24H31NO6S/c1-5-17-8-10-19(11-9-17)32(27,28)25-13-12-18-14-22(30-6-2)23(31-7-3)15-20(18)21(25)16-24(26)29-4/h8-11,14-15,21H,5-7,12-13,16H2,1-4H3