1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-5-methylsulfonyl-indole-2-carboxylic acid

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-5-methylsulfonyl-indole-2-carboxylic acid Openeye Name: 1-[2-(4-chloroanilino)-2-oxo-ethyl]-5-methylsulfonyl-indole-2-carboxylic acid CAS Name: 1-[2-(4-chloroanilino)-2-oxoethyl]-5-methylsulfonyl-2-indolecarboxylic acid IUPAC Name: 1-[2-(4-chloroanilino)-2-oxoethyl]-5-methylsulfonylindole-2-carboxylic acid Traditional Name: 1-[2-(4-chloroanilino)-2-keto-ethyl]-5-mesyl-indole-2-carboxylic acid Formula: C18H15ClN2O5S MolecularWeight: 406.8401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O5S/c1-27(25,26)14-6-7-15-11(8-14)9-16(18(23)24)21(15)10-17(22)20-13-4-2-12(19)3-5-13/h2-9H,10H2,1H3,(H,20,22)(H,23,24)