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

Systemtic Name: N-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-(3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-methyl-2-(3-pyrrolidinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S/c1-23-21(26)20-14-16-7-2-3-8-18(16)15-25(20)22(27)17-9-6-10-19(13-17)30(28,29)24-11-4-5-12-24/h2-3,6-10,13,20H,4-5,11-12,14-15H2,1H3,(H,23,26)