[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C19H21BrN2O5S2 MolecularWeight: 501.41444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S2/c1-13-11-15(4-5-16(13)20)21-17(23)12-27-19(24)14-6-8-22(9-7-14)29(25,26)18-3-2-10-28-18/h2-5,10-11,14H,6-9,12H2,1H3,(H,21,23)