2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[4-(5-methylbenzotriazol-1-yl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[4-(5-methyl-1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[4-(5-methylbenzotriazol-1-yl)piperidino]sulfonylbenzoic acid Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C19H20N4O4S/c1-13-6-7-17-16(12-13)20-21-23(17)14-8-10-22(11-9-14)28(26,27)18-5-3-2-4-15(18)19(24)25/h2-7,12,14H,8-11H2,1H3,(H,24,25)