2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(3-methylpiperidino)sulfonylbenzoyl]amino]terephthalic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22N2O7S/c1-13-3-2-10-23(12-13)31(29,30)16-7-4-14(5-8-16)19(24)22-18-11-15(20(25)26)6-9-17(18)21(27)28/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,24)(H,25,26)(H,27,28)