2-[[4-(3-methoxyphenyl)-1-(phenylsulfonyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1-(phenylsulfonyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[1-(benzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[1-(benzenesulfonyl)-4-(3-methoxyphenyl)-3-pyrrolidinyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[1-(benzenesulfonyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[1-besyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CN(CC2CN3CCC4=CC=CC=C4C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2CN(CC2CN3CCC4=CC=CC=C4C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O3S/c1-32-25-11-7-10-22(16-25)27-20-29(33(30,31)26-12-3-2-4-13-26)19-24(27)18-28-15-14-21-8-5-6-9-23(21)17-28/h2-13,16,24,27H,14-15,17-20H2,1H3