3-methyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoic acid Traditional Name: 3-methyl-4-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-15-14-17(21(25)26)7-10-19(15)22-20(24)11-6-16-4-8-18(9-5-16)29(27,28)23-12-2-3-13-23/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,22,24)(H,25,26)