3-[[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[3-nitro-4-[1-(o-tolyl)ethylamino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[3-nitro-4-[1-(o-tolyl)ethylamino]phenyl]sulfonylamino]propionic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-12-5-3-4-6-15(12)13(2)20-16-8-7-14(11-17(16)21(24)25)28(26,27)19-10-9-18(22)23/h3-8,11,13,19-20H,9-10H2,1-2H3,(H,22,23)