3-[2-bromanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid

Systemtic Name: 3-[2-bromanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid Openeye Name: 3-[2-bromo-3-[2-(p-tolylsulfonylamino)ethyl]indol-1-yl]propanoic acid CAS Name: 3-[2-bromo-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolyl]propanoic acid IUPAC Name: 3-[2-bromo-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indol-1-yl]propanoic acid Traditional Name: 3-[2-bromo-3-[2-(tosylamino)ethyl]indol-1-yl]propionic acid Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(N(C3=CC=CC=C32)CCC(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(N(C3=CC=CC=C32)CCC(=O)O)Br

InChI

InChI=1S/C20H21BrN2O4S/c1-14-6-8-15(9-7-14)28(26,27)22-12-10-17-16-4-2-3-5-18(16)23(20(17)21)13-11-19(24)25/h2-9,22H,10-13H2,1H3,(H,24,25)