3-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[3-[(4-chlorophenyl)sulfonyl-methyl-amino]-4-methoxy-phenyl]sulfonylamino]propionic acid Formula: C17H19ClN2O7S2 MolecularWeight: 462.92496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)S(=O)(=O)NCCC(=O)O)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(C1=C(C=CC(=C1)S(=O)(=O)NCCC(=O)O)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2O7S2/c1-20(29(25,26)13-5-3-12(18)4-6-13)15-11-14(7-8-16(15)27-2)28(23,24)19-10-9-17(21)22/h3-8,11,19H,9-10H2,1-2H3,(H,21,22)