N-[2-[di(propan-2-yl)amino]ethyl]-2-methylsulfonylcarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide

Systemtic Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-methylsulfonylcarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: 6-benzyloxy-N-[2-(diisopropylamino)ethyl]-2-methylsulfonylcarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxamide CAS Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-[methylsulfonyl(oxo)methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-methylsulfonylcarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: 6-benzoxy-N-[2-(diisopropylamino)ethyl]-2-mesylcarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxamide Formula: C27H37N3O5S MolecularWeight: 515.66478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)S(=O)(=O)C)C=C(C=C2)OCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)S(=O)(=O)C)C=C(C=C2)OCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C27H37N3O5S/c1-19(2)29(20(3)4)16-14-28-26(31)25-24-12-11-23(35-18-21-9-7-6-8-10-21)17-22(24)13-15-30(25)27(32)36(5,33)34/h6-12,17,19-20,25H,13-16,18H2,1-5H3,(H,28,31)