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

Systemtic Name: (4-phenylpiperazin-1-yl)-[(3S)-2-quinolin-5-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[(3S)-2-(5-quinolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[(3S)-2-(5-quinolinylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[(3S)-2-quinolin-5-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: (4-phenylpiperazino)-[(3S)-2-(5-quinolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]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=CC=N6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC6=C5C=CC=N6

InChI

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