4-[2-methyl-1-(4-phenylphenyl)carbonyl-5-sulfo-indol-3-yl]butanoic acid

Systemtic Name: 4-[2-methyl-1-(4-phenylphenyl)carbonyl-5-sulfo-indol-3-yl]butanoic acid Openeye Name: 4-[2-methyl-1-(4-phenylbenzoyl)-5-sulfo-indol-3-yl]butanoic acid CAS Name: 4-[2-methyl-1-[oxo-(4-phenylphenyl)methyl]-5-sulfo-3-indolyl]butanoic acid IUPAC Name: 4-[2-methyl-1-(4-phenylbenzoyl)-5-sulfoindol-3-yl]butanoic acid Traditional Name: 4-[2-methyl-1-(4-phenylbenzoyl)-5-sulfo-indol-3-yl]butyric acid Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=CC(=C2)S(=O)(=O)O)CCCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C=CC(=C2)S(=O)(=O)O)CCCC(=O)O

InChI

InChI=1S/C26H23NO6S/c1-17-22(8-5-9-25(28)29)23-16-21(34(31,32)33)14-15-24(23)27(17)26(30)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-4,6-7,10-16H,5,8-9H2,1H3,(H,28,29)(H,31,32,33)