methyl 1-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3-bromo-N-tosyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H25BrN2O5S/c1-16-6-8-20(9-7-16)31(28,29)25(19-5-3-4-18(23)14-19)15-21(26)24-12-10-17(11-13-24)22(27)30-2/h3-9,14,17H,10-13,15H2,1-2H3