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

Systemtic Name: 3-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoic acid Traditional Name: 3-methyl-4-[3-(4-piperidinosulfonylphenyl)propanoylamino]benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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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)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-16-15-18(22(26)27)8-11-20(16)23-21(25)12-7-17-5-9-19(10-6-17)30(28,29)24-13-3-2-4-14-24/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,23,25)(H,26,27)