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

Systemtic Name: 3-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidin-3-yl]oxybenzenecarboximidamide Openeye Name: 3-[1-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzamidine CAS Name: 3-[[1-(benzenesulfonyl)-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pyrrolidinyl]oxy]benzenecarboximidamide IUPAC Name: 3-[1-(benzenesulfonyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzenecarboximidamide Traditional Name: 3-[1-besyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-3-yl]oxybenzamidine Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3CC(CN3S(=O)(=O)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3CC(CN3S(=O)(=O)C4=CC=CC=C4)OC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C27H28N4O4S/c28-26(29)20-9-6-10-22(15-20)35-23-16-25(31(18-23)36(33,34)24-11-2-1-3-12-24)27(32)30-14-13-19-7-4-5-8-21(19)17-30/h1-12,15,23,25H,13-14,16-18H2,(H3,28,29)