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

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid Openeye Name: 2-[5-carbamoyl-9-[(3-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methoxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[(3-methylsulfonylphenyl)methyl]-4-carbazolyl]oxy]-3-methoxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-methylsulfonylphenyl)methyl]carbazol-4-yl]oxy-3-methoxypropanoic acid Traditional Name: 2-[5-carbamoyl-9-(3-mesylbenzyl)carbazol-4-yl]oxy-3-methoxy-propionic acid Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC(=CC=C4)S(=O)(=O)C)C(=O)N

Isomeric SMILES

COCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=CC(=CC=C4)S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C25H24N2O7S/c1-33-14-21(25(29)30)34-20-11-5-10-19-23(20)22-17(24(26)28)8-4-9-18(22)27(19)13-15-6-3-7-16(12-15)35(2,31)32/h3-12,21H,13-14H2,1-2H3,(H2,26,28)(H,29,30)