4-[[4-methoxy-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[4-methoxy-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[[3-[benzenesulfonyl(methyl)amino]-4-methoxy-phenyl]sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonyl-methylamino]butanoic acid Traditional Name: 4-[[3-[besyl(methyl)amino]-4-methoxy-phenyl]sulfonyl-methyl-amino]butyric acid Formula: C19H24N2O7S2 MolecularWeight: 456.53306

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)OC)N(C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)OC)N(C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N2O7S2/c1-20(13-7-10-19(22)23)29(24,25)16-11-12-18(28-3)17(14-16)21(2)30(26,27)15-8-5-4-6-9-15/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,22,23)