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

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H22ClN5O5S MolecularWeight: 491.94788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22ClN5O5S/c22-16-9-8-15(33(30,31)26-10-4-1-5-11-26)12-18(16)23-20(28)14-32-21(29)13-27-19-7-3-2-6-17(19)24-25-27/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,23,28)