[2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxoethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-benzal-2,3-dihydro-1H-acridine-9-carboxylic acid [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C39H37N3O6S MolecularWeight: 675.79258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)COC(=O)C4=C5CCCC(=CC6=CC=CC=C6)C5=NC7=CC=CC=C74

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)COC(=O)C4=C5CCC/C(=C\C6=CC=CC=C6)/C5=NC7=CC=CC=C74

InChI

InChI=1S/C39H37N3O6S/c1-26-22-34(27(2)42(26)30-13-9-14-31(24-30)49(45,46)41-18-20-47-21-19-41)36(43)25-48-39(44)37-32-15-6-7-17-35(32)40-38-29(12-8-16-33(37)38)23-28-10-4-3-5-11-28/h3-7,9-11,13-15,17,22-24H,8,12,16,18-21,25H2,1-2H3/b29-23+