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

Systemtic Name: [(3S)-2-isoquinolin-5-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S)-2-(5-isoquinolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S)-2-(5-isoquinolinylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-2-isoquinolin-5-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S)-2-(5-isoquinolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazino)methanone Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C29H28N4O3S/c34-29(32-17-15-31(16-18-32)25-10-2-1-3-11-25)27-19-22-7-4-5-8-24(22)21-33(27)37(35,36)28-12-6-9-23-20-30-14-13-26(23)28/h1-14,20,27H,15-19,21H2/t27-/m0/s1