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

Systemtic Name: (phenylmethyl) (3S)-7-naphthalen-1-ylsulfonyloxy-3-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-7-(1-naphthylsulfonyloxy)-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-7-(1-naphthalenylsulfonyloxy)-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-7-naphthalen-1-ylsulfonyloxy-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-7-(1-naphthylsulfonyloxy)-3-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C38H35N3O6S MolecularWeight: 661.766

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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=CC=CC=C76

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=CC=CC=C76

InChI

InChI=1S/C38H35N3O6S/c42-37(40-22-20-39(21-23-40)32-14-5-2-6-15-32)35-25-30-18-19-33(47-48(44,45)36-17-9-13-29-12-7-8-16-34(29)36)24-31(30)26-41(35)38(43)46-27-28-10-3-1-4-11-28/h1-19,24,35H,20-23,25-27H2/t35-/m0/s1