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

Systemtic Name: 2-[5-aminocarbonyl-9-[[2-(phenylsulfonylmethyl)phenyl]methyl]carbazol-4-yl]oxypropanoic acid Openeye Name: 2-[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoyl-carbazol-4-yl]oxypropanoic acid CAS Name: 2-[[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoyl-4-carbazolyl]oxy]propanoic acid IUPAC Name: 2-[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoylcarbazol-4-yl]oxypropanoic acid Traditional Name: 2-[9-[2-(besylmethyl)benzyl]-5-carbamoyl-carbazol-4-yl]oxypropionic acid Formula: C30H26N2O6S MolecularWeight: 542.60224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C30H26N2O6S/c1-19(30(34)35)38-26-16-8-15-25-28(26)27-23(29(31)33)13-7-14-24(27)32(25)17-20-9-5-6-10-21(20)18-39(36,37)22-11-3-2-4-12-22/h2-16,19H,17-18H2,1H3,(H2,31,33)(H,34,35)