ethyl 4-[[(3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate

Systemtic Name: ethyl 4-[[(3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate Openeye Name: ethyl 4-[[(3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate CAS Name: 4-[[(3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate Traditional Name: 4-[[(3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC

InChI

InChI=1S/C20H22N2O5S/c1-3-27-20(24)14-8-10-17(11-9-14)28(25,26)22-13-16-7-5-4-6-15(16)12-18(22)19(23)21-2/h4-11,18H,3,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1