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

Systemtic Name: 3-[5-bromanyl-1-(phenylsulfonyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(benzenesulfonyl)-5-bromo-indol-3-yl]propanoic acid CAS Name: 3-[1-(benzenesulfonyl)-5-bromo-3-indolyl]propanoic acid IUPAC Name: 3-[1-(benzenesulfonyl)-5-bromoindol-3-yl]propanoic acid Traditional Name: 3-(1-besyl-5-bromo-indol-3-yl)propionic acid Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO4S/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)