[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O6S/c1-32-20-10-9-16(34(30,31)26-11-5-2-6-12-26)13-18(20)23-21(28)15-33-22(29)14-27-19-8-4-3-7-17(19)24-25-27/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,23,28)