4-[[2,4-dimethyl-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonylamino]butanoate

Systemtic Name: 4-[[2,4-dimethyl-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonylamino]butanoate Openeye Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]butanoate CAS Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonylamino]butanoate IUPAC Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonylamino]butanoate Traditional Name: 4-[[3-[besyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonylamino]butyrate Formula: C19H23N2O6S2- MolecularWeight: 439.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)NCCCC(=O)[O-])C)N(C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)NCCCC(=O)[O-])C)N(C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O6S2/c1-14-11-12-17(28(24,25)20-13-7-10-18(22)23)15(2)19(14)21(3)29(26,27)16-8-5-4-6-9-16/h4-6,8-9,11-12,20H,7,10,13H2,1-3H3,(H,22,23)/p-1