ethyl 4-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(N-methylsulfonyl-4-phenoxy-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-4-phenoxy-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O6S/c1-4-31-23(28)25-16-14-24(15-17-25)22(27)18(2)26(33(3,29)30)19-10-12-21(13-11-19)32-20-8-6-5-7-9-20/h5-13,18H,4,14-17H2,1-3H3