2-[5-aminocarbonyl-9-[[2-(phenylsulfonylmethyl)phenyl]methyl]carbazol-4-yl]oxybutanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[[2-(phenylsulfonylmethyl)phenyl]methyl]carbazol-4-yl]oxybutanoic acid Openeye Name: 2-[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoyl-carbazol-4-yl]oxybutanoic acid CAS Name: 2-[[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoyl-4-carbazolyl]oxy]butanoic acid IUPAC Name: 2-[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoylcarbazol-4-yl]oxybutanoic acid Traditional Name: 2-[9-[2-(besylmethyl)benzyl]-5-carbamoyl-carbazol-4-yl]oxybutyric acid Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC=CC=C4CS(=O)(=O)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC=CC=C4CS(=O)(=O)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C31H28N2O6S/c1-2-26(31(35)36)39-27-17-9-16-25-29(27)28-23(30(32)34)14-8-15-24(28)33(25)18-20-10-6-7-11-21(20)19-40(37,38)22-12-4-3-5-13-22/h3-17,26H,2,18-19H2,1H3,(H2,32,34)(H,35,36)