4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: 4-[[4-(5-methylbenzotriazol-1-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(5-methyl-1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-methylbenzotriazol-1-yl)piperidino]sulfonylbenzoate Formula: C19H19N4O4S- MolecularWeight: 399.44356

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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=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

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