5,6-dimethoxy-3-[(phenylmethyl)sulfonylamino]-1H-indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-3-[(phenylmethyl)sulfonylamino]-1H-indole-2-carboxylic acid Openeye Name: 3-(benzylsulfonylamino)-5,6-dimethoxy-1H-indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-3-[(phenylmethyl)sulfonylamino]-1H-indole-2-carboxylic acid IUPAC Name: 3-(benzylsulfonylamino)-5,6-dimethoxy-1H-indole-2-carboxylic acid Traditional Name: 3-(benzylsulfonylamino)-5,6-dimethoxy-1H-indole-2-carboxylic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)O)NS(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C18H18N2O6S/c1-25-14-8-12-13(9-15(14)26-2)19-17(18(21)22)16(12)20-27(23,24)10-11-6-4-3-5-7-11/h3-9,19-20H,10H2,1-2H3,(H,21,22)