2-[(4-nitrophenyl)methyl-quinolin-8-ylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-quinolin-8-ylsulfonyl-amino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(8-quinolylsulfonyl)amino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl-(8-quinolinylsulfonyl)amino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-quinolin-8-ylsulfonylamino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)-(8-quinolylsulfonyl)amino]propionic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C19H17N3O6S/c1-13(19(23)24)21(12-14-7-9-16(10-8-14)22(25)26)29(27,28)17-6-2-4-15-5-3-11-20-18(15)17/h2-11,13H,12H2,1H3,(H,23,24)