methyl 1-[2-[(4-iodophenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-iodophenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-4-iodo-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-4-iodoanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-4-iodoanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-4-iodo-anilino)acetyl]isonipecotic acid methyl ester Formula: C21H23IN2O5S MolecularWeight: 542.38719

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23IN2O5S/c1-29-21(26)16-11-13-23(14-12-16)20(25)15-24(18-9-7-17(22)8-10-18)30(27,28)19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3