5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-methyl-benzoic acid Openeye Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-methyl-benzoic acid CAS Name: 5-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]-2-methylbenzoic acid IUPAC Name: 5-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonyl-2-methylbenzoic acid Traditional Name: 5-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-2-methyl-benzoic acid Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C22H23NO7S/c1-5-23-14(4)20(22(26)29-6-2)18-11-15(8-10-19(18)23)30-31(27,28)16-9-7-13(3)17(12-16)21(24)25/h7-12H,5-6H2,1-4H3,(H,24,25)