3-methoxycarbonyl-2-methyl-5-oxidanyl-1-(phenylsulfonyl)indole-4-carboxylate

Systemtic Name: 3-methoxycarbonyl-2-methyl-5-oxidanyl-1-(phenylsulfonyl)indole-4-carboxylate Openeye Name: 1-(benzenesulfonyl)-5-hydroxy-3-methoxycarbonyl-2-methyl-indole-4-carboxylate CAS Name: 1-(benzenesulfonyl)-5-hydroxy-3-methoxycarbonyl-2-methyl-4-indolecarboxylate IUPAC Name: 1-(benzenesulfonyl)-5-hydroxy-3-methoxycarbonyl-2-methylindole-4-carboxylate Traditional Name: 1-besyl-3-carbomethoxy-5-hydroxy-2-methyl-indole-4-carboxylate Formula: C18H14NO7S- MolecularWeight: 388.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2C(=O)[O-])O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2C(=O)[O-])O)C(=O)OC

InChI

InChI=1S/C18H15NO7S/c1-10-14(18(23)26-2)15-12(8-9-13(20)16(15)17(21)22)19(10)27(24,25)11-6-4-3-5-7-11/h3-9,20H,1-2H3,(H,21,22)/p-1