3-methyl-5-(5-methylsulfonyloxypent-1-ynyl)indole-1-carboxylic acid

Systemtic Name: 3-methyl-5-(5-methylsulfonyloxypent-1-ynyl)indole-1-carboxylic acid Openeye Name: 3-methyl-5-(5-methylsulfonyloxypent-1-ynyl)indole-1-carboxylic acid CAS Name: 3-methyl-5-(5-methylsulfonyloxypent-1-ynyl)-1-indolecarboxylic acid IUPAC Name: 3-methyl-5-(5-methylsulfonyloxypent-1-ynyl)indole-1-carboxylic acid Traditional Name: 3-methyl-5-(5-methylsulfonyloxypent-1-ynyl)indole-1-carboxylic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(C=C2)C#CCCCOS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CN(C2=C1C=C(C=C2)C#CCCCOS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C16H17NO5S/c1-12-11-17(16(18)19)15-8-7-13(10-14(12)15)6-4-3-5-9-22-23(2,20)21/h7-8,10-11H,3,5,9H2,1-2H3,(H,18,19)