3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,5-dimethoxyphenyl)-1-(phenylsulfonyl)pyrrolidin-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,5-dimethoxyphenyl)-1-(phenylsulfonyl)pyrrolidin-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)-3-pyrrolidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-besyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CN(CC2C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H30N2O5S/c1-34-22-12-13-27(35-2)24(16-22)25-18-30(36(32,33)23-10-4-3-5-11-23)19-26(25)28(31)29-15-14-20-8-6-7-9-21(20)17-29/h3-13,16,25-26H,14-15,17-19H2,1-2H3