(phenylmethyl) (3S)-3-(4-phenylpiperazin-1-yl)carbonyl-7-quinolin-8-ylsulfonyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-(4-phenylpiperazin-1-yl)carbonyl-7-quinolin-8-ylsulfonyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-(4-phenylpiperazine-1-carbonyl)-7-(8-quinolylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-7-(8-quinolinylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(4-phenylpiperazine-1-carbonyl)-7-quinolin-8-ylsulfonyloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(4-phenylpiperazine-1-carbonyl)-7-(8-quinolylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C37H34N4O6S MolecularWeight: 662.75406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=C(CN3C(=O)OCC5=CC=CC=C5)C=C(C=C4)OS(=O)(=O)C6=CC=CC7=C6N=CC=C7

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=C(CN3C(=O)OCC5=CC=CC=C5)C=C(C=C4)OS(=O)(=O)C6=CC=CC7=C6N=CC=C7

InChI

InChI=1S/C37H34N4O6S/c42-36(40-21-19-39(20-22-40)31-13-5-2-6-14-31)33-24-29-16-17-32(47-48(44,45)34-15-7-11-28-12-8-18-38-35(28)34)23-30(29)25-41(33)37(43)46-26-27-9-3-1-4-10-27/h1-18,23,33H,19-22,24-26H2/t33-/m0/s1