propan-2-yl 6-[[(3S)-1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: propan-2-yl 6-[[(3S)-1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: isopropyl 6-[[(3S)-1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[(3S)-1-(4-methylsulfonylphenyl)-3-pyrrolidinyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[[(3S)-1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[[(3S)-1-(4-mesylphenyl)pyrrolidin-3-yl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid isopropyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)COC3CCN(C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)CO[C@H]3CCN(C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H32N2O5S/c1-18(2)32-25(28)27-12-10-20-14-19(4-5-21(20)15-27)17-31-23-11-13-26(16-23)22-6-8-24(9-7-22)33(3,29)30/h4-9,14,18,23H,10-13,15-17H2,1-3H3/t23-/m0/s1