5-methoxy-1-(phenylsulfonyl)indole-2-sulfinic acid

Systemtic Name: 5-methoxy-1-(phenylsulfonyl)indole-2-sulfinic acid Openeye Name: 1-(benzenesulfonyl)-5-methoxy-indole-2-sulfinic acid CAS Name: 1-(benzenesulfonyl)-5-methoxy-2-indolesulfinic acid IUPAC Name: 1-(benzenesulfonyl)-5-methoxyindole-2-sulfinic acid Traditional Name: 1-besyl-5-methoxy-indole-2-sulfinic acid Formula: C15H13NO5S2 MolecularWeight: 351.39742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2)S(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2)S(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13NO5S2/c1-21-12-7-8-14-11(9-12)10-15(22(17)18)16(14)23(19,20)13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18)