2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-methyl-3-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)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

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