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

Systemtic Name: propan-2-yl 6-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: isopropyl 6-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[1-(4-methylsulfonylphenyl)-3-pyrrolidinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[1-(4-mesylphenyl)pyrrolidin-3-yl]oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid isopropyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)OC3CCN(C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)OC3CCN(C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H30N2O5S/c1-17(2)30-24(27)26-12-10-18-14-21(7-4-19(18)15-26)31-22-11-13-25(16-22)20-5-8-23(9-6-20)32(3,28)29/h4-9,14,17,22H,10-13,15-16H2,1-3H3