[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2S)-1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C24H25N3O6S/c1-16(33-24(30)21-15-17-7-3-4-8-20(17)23(29)26-21)22(28)25-18-9-11-19(12-10-18)34(31,32)27-13-5-2-6-14-27/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,25,28)(H,26,29)/t16-/m0/s1