2-methoxy-5-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]methyl]benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O6S/c1-15-6-8-17(13-20(15)31(28,29)24-10-4-3-5-11-24)21(25)23-14-16-7-9-19(30-2)18(12-16)22(26)27/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)(H,26,27)