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

Systemtic Name: 4-[[4-methoxy-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[3-[benzenesulfonyl(methyl)amino]-4-methoxy-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[3-[besyl(methyl)amino]-4-methoxy-phenyl]sulfonylamino]butyric acid Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=CC(=C1)S(=O)(=O)NCCCC(=O)O)OC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C1=C(C=CC(=C1)S(=O)(=O)NCCCC(=O)O)OC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O7S2/c1-20(29(25,26)14-7-4-3-5-8-14)16-13-15(10-11-17(16)27-2)28(23,24)19-12-6-9-18(21)22/h3-5,7-8,10-11,13,19H,6,9,12H2,1-2H3,(H,21,22)