2-[5-aminocarbonyl-9-[[2-(phenylsulfonylmethyl)phenyl]methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[[2-(phenylsulfonylmethyl)phenyl]methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid Openeye Name: 2-[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoyl-carbazol-4-yl]oxy-3-methoxy-propanoic acid CAS Name: 2-[[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoyl-4-carbazolyl]oxy]-3-methoxypropanoic acid IUPAC Name: 2-[9-[[2-(benzenesulfonylmethyl)phenyl]methyl]-5-carbamoylcarbazol-4-yl]oxy-3-methoxypropanoic acid Traditional Name: 2-[9-[2-(besylmethyl)benzyl]-5-carbamoyl-carbazol-4-yl]oxy-3-methoxy-propionic acid Formula: C31H28N2O7S MolecularWeight: 572.62822

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Descriptors Computed from Structure

Canonical SMILES:

COCC(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

COCC(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/C31H28N2O7S/c1-39-18-27(31(35)36)40-26-16-8-15-25-29(26)28-23(30(32)34)13-7-14-24(28)33(25)17-20-9-5-6-10-21(20)19-41(37,38)22-11-3-2-4-12-22/h2-16,27H,17-19H2,1H3,(H2,32,34)(H,35,36)