3-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(2-amino-4-methylsulfonyl-butanoyl)amino]-4-methyl-benzoic acid CAS Name: 3-[(2-amino-4-methylsulfonyl-1-oxobutyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-amino-4-mesyl-butanoyl)amino]-4-methyl-benzoic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CCS(=O)(=O)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CCS(=O)(=O)C)N

InChI

InChI=1S/C13H18N2O5S/c1-8-3-4-9(13(17)18)7-11(8)15-12(16)10(14)5-6-21(2,19)20/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)(H,17,18)