5-bromanyl-3-morpholin-4-ylsulfonyl-1H-indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-3-morpholin-4-ylsulfonyl-1H-indole-2-carboxylic acid Openeye Name: 5-bromo-3-morpholinosulfonyl-1H-indole-2-carboxylic acid CAS Name: 5-bromo-3-(4-morpholinylsulfonyl)-1H-indole-2-carboxylic acid IUPAC Name: 5-bromo-3-morpholin-4-ylsulfonyl-1H-indole-2-carboxylic acid Traditional Name: 5-bromo-3-morpholinosulfonyl-1H-indole-2-carboxylic acid Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C13H13BrN2O5S/c14-8-1-2-10-9(7-8)12(11(15-10)13(17)18)22(19,20)16-3-5-21-6-4-16/h1-2,7,15H,3-6H2,(H,17,18)