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

Systemtic Name: 5-methylsulfonyl-3-morpholin-4-ylsulfonyl-1H-indole-2-carboxylic acid Openeye Name: 5-methylsulfonyl-3-morpholinosulfonyl-1H-indole-2-carboxylic acid CAS Name: 5-methylsulfonyl-3-(4-morpholinylsulfonyl)-1H-indole-2-carboxylic acid IUPAC Name: 5-methylsulfonyl-3-morpholin-4-ylsulfonyl-1H-indole-2-carboxylic acid Traditional Name: 5-mesyl-3-morpholinosulfonyl-1H-indole-2-carboxylic acid Formula: C14H16N2O7S2 MolecularWeight: 388.41604

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)NC(=C2S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)NC(=C2S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C14H16N2O7S2/c1-24(19,20)9-2-3-11-10(8-9)13(12(15-11)14(17)18)25(21,22)16-4-6-23-7-5-16/h2-3,8,15H,4-7H2,1H3,(H,17,18)