3-[5-chloranyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[5-chloranyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-chloro-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-chloro-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-chloroindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-chloro-indol-3-yl)propionic acid Formula: C17H14ClNO4S MolecularWeight: 363.81536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)CCC(=O)O

InChI

InChI=1S/C17H14ClNO4S/c18-13-7-8-16-15(10-13)12(6-9-17(20)21)11-19(16)24(22,23)14-4-2-1-3-5-14/h1-5,7-8,10-11H,6,9H2,(H,20,21)