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

Systemtic Name: 4-chloranyl-3-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-benzoic acid Openeye Name: 4-chloro-3-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-benzoic acid CAS Name: 4-chloro-3-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]benzoic acid IUPAC Name: 4-chloro-3-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonylbenzoic acid Traditional Name: 3-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonyl-4-chloro-benzoic acid Formula: C21H20ClNO7S MolecularWeight: 465.904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO7S/c1-4-23-12(3)19(21(26)29-5-2)15-11-14(7-9-17(15)23)30-31(27,28)18-10-13(20(24)25)6-8-16(18)22/h6-11H,4-5H2,1-3H3,(H,24,25)