4-methyl-3-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-methyl-3-[(4-morpholinosulfonylphenyl)sulfonylamino]benzoic acid CAS Name: 4-methyl-3-[[4-(4-morpholinylsulfonyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-methyl-3-[(4-morpholin-4-ylsulfonylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-methyl-3-[(4-morpholinosulfonylphenyl)sulfonylamino]benzoic acid Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N2O7S2/c1-13-2-3-14(18(21)22)12-17(13)19-28(23,24)15-4-6-16(7-5-15)29(25,26)20-8-10-27-11-9-20/h2-7,12,19H,8-11H2,1H3,(H,21,22)