5-[2-azanyl-5-(propanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[2-azanyl-5-(propanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[2-amino-5-(propanoylamino)phenyl]sulfonyl-2-methyl-benzenesulfonic acid CAS Name: 5-[2-amino-5-(1-oxopropylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid IUPAC Name: 5-[2-amino-5-(propanoylamino)phenyl]sulfonyl-2-methylbenzenesulfonic acid Traditional Name: 5-(2-amino-5-propionamido-phenyl)sulfonyl-2-methyl-besylic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)C2=CC(=C(C=C2)C)S(=O)(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)C2=CC(=C(C=C2)C)S(=O)(=O)O

InChI

InChI=1S/C16H18N2O6S2/c1-3-16(19)18-11-5-7-13(17)15(8-11)25(20,21)12-6-4-10(2)14(9-12)26(22,23)24/h4-9H,3,17H2,1-2H3,(H,18,19)(H,22,23,24)