2-[5-aminocarbonyl-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-carbamoyl-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-carbamoyl-2-methyl-1-(4-methylsulfonylphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-carbamoyl-2-methyl-1-(4-methylsulfonylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-carbamoyl-1-(4-mesylphenyl)sulfonyl-2-methyl-indol-3-yl]acetic acid Formula: C19H18N2O7S2 MolecularWeight: 450.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)C(=O)N)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)C(=O)N)CC(=O)O

InChI

InChI=1S/C19H18N2O7S2/c1-11-15(10-18(22)23)16-9-12(19(20)24)3-8-17(16)21(11)30(27,28)14-6-4-13(5-7-14)29(2,25)26/h3-9H,10H2,1-2H3,(H2,20,24)(H,22,23)