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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-8-7-9(13(17)18)3-4-11(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)