2-isoquinolin-5-ylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol

Systemtic Name: 2-isoquinolin-5-ylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Openeye Name: 2-(5-isoquinolylsulfonyl)-3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol CAS Name: 2-(5-isoquinolinylsulfonyl)-3-[(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol IUPAC Name: 2-isoquinolin-5-ylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Traditional Name: 2-(5-isoquinolylsulfonyl)-3-[(4-phenylpiperazino)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CC3=CC(=C(C=C3CN2S(=O)(=O)C4=CC=CC5=C4C=CN=C5)O)O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2CC3=CC(=C(C=C3CN2S(=O)(=O)C4=CC=CC5=C4C=CN=C5)O)O)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O4S/c34-27-16-22-15-25(20-31-11-13-32(14-12-31)24-6-2-1-3-7-24)33(19-23(22)17-28(27)35)38(36,37)29-8-4-5-21-18-30-10-9-26(21)29/h1-10,16-18,25,34-35H,11-15,19-20H2