methyl 3-[[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate

Systemtic Name: methyl 3-[[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate Openeye Name: methyl 3-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate CAS Name: 3-[[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoate Traditional Name: 3-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzoic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C22H24N2O5S/c1-29-22(26)17-9-6-10-19(13-17)30(27,28)24-15-18-8-3-2-7-16(18)14-20(24)21(25)23-11-4-5-12-23/h2-3,6-10,13,20H,4-5,11-12,14-15H2,1H3/t20-/m0/s1