(2R)-3-(6-bromanyl-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2R)-3-(6-bromanyl-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: (2R)-3-(6-bromo-1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: (2R)-3-(6-bromo-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2R)-3-(6-bromo-1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: (2R)-3-(6-bromo-1H-indol-3-yl)-2-(tosylamino)propionic acid Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CNC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C18H17BrN2O4S/c1-11-2-5-14(6-3-11)26(24,25)21-17(18(22)23)8-12-10-20-16-9-13(19)4-7-15(12)16/h2-7,9-10,17,20-21H,8H2,1H3,(H,22,23)/t17-/m1/s1