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

Systemtic Name: 3-methyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(4-morpholinosulfonylphenyl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzoic acid Traditional Name: 3-methyl-4-[3-(4-morpholinosulfonylphenyl)propanoylamino]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O6S/c1-15-14-17(21(25)26)5-8-19(15)22-20(24)9-4-16-2-6-18(7-3-16)30(27,28)23-10-12-29-13-11-23/h2-3,5-8,14H,4,9-13H2,1H3,(H,22,24)(H,25,26)