4-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxyphenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoyl]amino]-3-methyl-benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)OC)C

InChI

InChI=1S/C23H28N2O6S/c1-14-9-15(2)13-25(12-14)32(29,30)21-11-17(6-8-20(21)31-4)22(26)24-19-7-5-18(23(27)28)10-16(19)3/h5-8,10-11,14-15H,9,12-13H2,1-4H3,(H,24,26)(H,27,28)