methyl 4-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

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