N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-methyl-2-(4-pyrrolidinosulfonylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-22-21(25)20-14-16-6-2-3-7-17(16)15-24(20)31(28,29)19-10-8-18(9-11-19)30(26,27)23-12-4-5-13-23/h2-3,6-11,20H,4-5,12-15H2,1H3,(H,22,25)