2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-(4-nitrobenzyl)amino]propionic acid Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H19N3O7S/c1-12(18(23)24)20(11-14-3-7-16(8-4-14)21(25)26)29(27,28)17-9-5-15(6-10-17)19-13(2)22/h3-10,12H,11H2,1-2H3,(H,19,22)(H,23,24)