methyl 1-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-4-morpholinosulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C20H29N3O8S2 MolecularWeight: 503.58956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O8S2/c1-30-20(25)16-7-9-21(10-8-16)19(24)15-23(32(2,26)27)17-3-5-18(6-4-17)33(28,29)22-11-13-31-14-12-22/h3-6,16H,7-15H2,1-2H3