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

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(N-methylsulfonyl-4-phenoxy-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-4-phenoxy-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-3-30-22(27)24-15-13-23(14-16-24)21(26)17-25(32(2,28)29)18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3