1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-5-methylsulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-5-methylsulfonylindole-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-5-mesyl-indole-2-carboxylic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H14N2O4S/c1-25(23,24)15-5-6-16-14(8-15)9-17(18(21)22)20(16)11-13-4-2-3-12(7-13)10-19/h2-9H,11H2,1H3,(H,21,22)