[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C23H28N2O6S/c1-6-32(29,30)25-12-18-10-8-7-9-17(18)11-19(25)23(28)31-16(5)22(27)21-13(2)20(15(4)26)14(3)24-21/h7-10,16,19,24H,6,11-12H2,1-5H3