2-[2-bromanyl-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoic acid

Systemtic Name: 2-[2-bromanyl-3-[2-(phenylsulfonylamino)ethyl]indol-1-yl]propanoic acid Openeye Name: 2-[3-[2-(benzenesulfonamido)ethyl]-2-bromo-indol-1-yl]propanoic acid CAS Name: 2-[3-[2-(benzenesulfonamido)ethyl]-2-bromo-1-indolyl]propanoic acid IUPAC Name: 2-[3-[2-(benzenesulfonamido)ethyl]-2-bromoindol-1-yl]propanoic acid Traditional Name: 2-[3-[2-(benzenesulfonamido)ethyl]-2-bromo-indol-1-yl]propionic acid Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=CC=CC=C2C(=C1Br)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N1C2=CC=CC=C2C(=C1Br)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN2O4S/c1-13(19(23)24)22-17-10-6-5-9-15(17)16(18(22)20)11-12-21-27(25,26)14-7-3-2-4-8-14/h2-10,13,21H,11-12H2,1H3,(H,23,24)