[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20Br2N2O5S2 MolecularWeight: 580.3105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Br

InChI

InChI=1S/C19H20Br2N2O5S2/c1-12-9-14(20)18(15(21)10-12)22-16(24)11-28-19(25)13-4-6-23(7-5-13)30(26,27)17-3-2-8-29-17/h2-3,8-10,13H,4-7,11H2,1H3,(H,22,24)