[(3S)-7-isoquinolin-5-ylsulfonyl-2-naphthalen-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-7-isoquinolin-5-ylsulfonyl-2-naphthalen-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S)-7-(5-isoquinolylsulfonyl)-2-(1-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S)-7-(5-isoquinolinylsulfonyl)-2-(1-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-7-isoquinolin-5-ylsulfonyl-2-naphthalen-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S)-7-(5-isoquinolylsulfonyl)-2-(1-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazino)methanone Formula: C39H34N4O5S2 MolecularWeight: 702.84106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=C(CN3S(=O)(=O)C5=CC=CC6=CC=CC=C65)C=C(C=C4)S(=O)(=O)C7=CC=CC8=C7C=CN=C8

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=C(CN3S(=O)(=O)C5=CC=CC6=CC=CC=C65)C=C(C=C4)S(=O)(=O)C7=CC=CC8=C7C=CN=C8

InChI

InChI=1S/C39H34N4O5S2/c44-39(42-22-20-41(21-23-42)32-11-2-1-3-12-32)36-25-29-16-17-33(49(45,46)37-14-7-10-30-26-40-19-18-35(30)37)24-31(29)27-43(36)50(47,48)38-15-6-9-28-8-4-5-13-34(28)38/h1-19,24,26,36H,20-23,25,27H2/t36-/m0/s1