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

Systemtic Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylsulfonylphenyl)sulfonyl-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: N-[2-(diisopropylamino)ethyl]-2-(2-methylsulfonylphenyl)sulfonyl-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide CAS Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylsulfonylphenyl)sulfonyl-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylsulfonylphenyl)sulfonyl-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: N-[2-(diisopropylamino)ethyl]-2-(2-mesylphenyl)sulfonyl-6-phenoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide Formula: C31H39N3O6S2 MolecularWeight: 613.78786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1C2=C(CCN1S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)C=C(C=C2)OC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1C2=C(CCN1S(=O)(=O)C3=CC=CC=C3S(=O)(=O)C)C=C(C=C2)OC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H39N3O6S2/c1-22(2)33(23(3)4)20-18-32-31(35)30-27-16-15-26(40-25-11-7-6-8-12-25)21-24(27)17-19-34(30)42(38,39)29-14-10-9-13-28(29)41(5,36)37/h6-16,21-23,30H,17-20H2,1-5H3,(H,32,35)