[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C22H22BrN3O5S MolecularWeight: 520.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N)Br

InChI

InChI=1S/C22H22BrN3O5S/c1-15-6-8-26(9-7-15)32(29,30)19-11-17(10-18(23)12-19)22(28)31-14-21(27)25-20-5-3-2-4-16(20)13-24/h2-5,10-12,15H,6-9,14H2,1H3,(H,25,27)