4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylbenzoic acid

Systemtic Name: 4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylbenzoic acid Openeye Name: 4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylbenzoic acid CAS Name: 4-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]benzoic acid IUPAC Name: 4-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonylbenzoic acid Traditional Name: 4-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonylbenzoic acid Formula: C21H21NO7S MolecularWeight: 431.45894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S/c1-4-22-13(3)19(21(25)28-5-2)17-12-15(8-11-18(17)22)29-30(26,27)16-9-6-14(7-10-16)20(23)24/h6-12H,4-5H2,1-3H3,(H,23,24)