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

Systemtic Name: methyl 1-[2-[(3-bromanyl-4-methoxy-phenyl)sulfonyl-(4-methylphenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-(3-bromo-4-methoxy-phenyl)sulfonyl-4-methyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H27BrN2O6S MolecularWeight: 539.43928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O6S/c1-16-4-6-18(7-5-16)26(33(29,30)19-8-9-21(31-2)20(24)14-19)15-22(27)25-12-10-17(11-13-25)23(28)32-3/h4-9,14,17H,10-13,15H2,1-3H3