1-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3S)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]proline Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4C(=O)O)OC

InChI

InChI=1S/C23H26N2O7S/c1-31-20-10-9-17(13-21(20)32-2)33(29,30)25-14-16-7-4-3-6-15(16)12-19(25)22(26)24-11-5-8-18(24)23(27)28/h3-4,6-7,9-10,13,18-19H,5,8,11-12,14H2,1-2H3,(H,27,28)/t18?,19-/m0/s1