5-chloranyl-2-ethoxycarbonyl-1-(phenylsulfonyl)indole-3-sulfonic acid

Systemtic Name: 5-chloranyl-2-ethoxycarbonyl-1-(phenylsulfonyl)indole-3-sulfonic acid Openeye Name: 1-(benzenesulfonyl)-5-chloro-2-ethoxycarbonyl-indole-3-sulfonic acid CAS Name: 1-(benzenesulfonyl)-5-chloro-2-ethoxycarbonyl-3-indolesulfonic acid IUPAC Name: 1-(benzenesulfonyl)-5-chloro-2-ethoxycarbonylindole-3-sulfonic acid Traditional Name: 1-besyl-2-carbethoxy-5-chloro-indole-3-sulfonic acid Formula: C17H14ClNO7S2 MolecularWeight: 443.87856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)Cl)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC(=C2)Cl)S(=O)(=O)O

InChI

InChI=1S/C17H14ClNO7S2/c1-2-26-17(20)15-16(28(23,24)25)13-10-11(18)8-9-14(13)19(15)27(21,22)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,23,24,25)