1-(furan-2-ylcarbonyl)-2-methyl-3-(phenylmethyl)indole-5-sulfonic acid

Systemtic Name: 1-(furan-2-ylcarbonyl)-2-methyl-3-(phenylmethyl)indole-5-sulfonic acid Openeye Name: 3-benzyl-1-(furan-2-carbonyl)-2-methyl-indole-5-sulfonic acid CAS Name: 1-[2-furanyl(oxo)methyl]-2-methyl-3-(phenylmethyl)-5-indolesulfonic acid IUPAC Name: 3-benzyl-1-(furan-2-carbonyl)-2-methylindole-5-sulfonic acid Traditional Name: 3-benzyl-1-(2-furoyl)-2-methyl-indole-5-sulfonic acid Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=CO3)C=CC(=C2)S(=O)(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=CO3)C=CC(=C2)S(=O)(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C21H17NO5S/c1-14-17(12-15-6-3-2-4-7-15)18-13-16(28(24,25)26)9-10-19(18)22(14)21(23)20-8-5-11-27-20/h2-11,13H,12H2,1H3,(H,24,25,26)