4-[6-methoxy-3-(3,4,5-trimethoxyphenyl)carbonyl-indol-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[6-methoxy-3-(3,4,5-trimethoxyphenyl)carbonyl-indol-1-yl]sulfonylbenzoic acid Openeye Name: 4-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]sulfonylbenzoic acid CAS Name: 4-[[6-methoxy-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-indolyl]sulfonyl]benzoic acid IUPAC Name: 4-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]sulfonylbenzoic acid Traditional Name: 4-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]sulfonylbenzoic acid Formula: C26H23NO9S MolecularWeight: 525.52712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H23NO9S/c1-33-17-7-10-19-20(24(28)16-11-22(34-2)25(36-4)23(12-16)35-3)14-27(21(19)13-17)37(31,32)18-8-5-15(6-9-18)26(29)30/h5-14H,1-4H3,(H,29,30)