ethyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-4-morpholinosulfonyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H30N4O8S2 MolecularWeight: 518.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O8S2/c1-3-32-20(26)22-10-8-21(9-11-22)19(25)16-24(33(2,27)28)17-4-6-18(7-5-17)34(29,30)23-12-14-31-15-13-23/h4-7H,3,8-16H2,1-2H3