2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]terephthalic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22N2O7S/c1-13-5-7-15(31(29,30)23-9-3-2-4-10-23)12-17(13)19(24)22-18-11-14(20(25)26)6-8-16(18)21(27)28/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)(H,25,26)(H,27,28)