2-[5-aminocarbonyl-9-[(2-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(2-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[5-carbamoyl-9-[(2-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[5-carbamoyl-9-[(2-methylsulfonylphenyl)methyl]-4-carbazolyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(2-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[5-carbamoyl-9-(2-mesylbenzyl)carbazol-4-yl]oxy-3-methyl-butyric acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC=CC=C4S(=O)(=O)C)C(=O)N

Isomeric SMILES

CC(C)C(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC=CC=C4S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C26H26N2O6S/c1-15(2)24(26(30)31)34-20-12-7-11-19-23(20)22-17(25(27)29)9-6-10-18(22)28(19)14-16-8-4-5-13-21(16)35(3,32)33/h4-13,15,24H,14H2,1-3H3,(H2,27,29)(H,30,31)