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

Systemtic Name: ethyl 4-[2-[methylsulfonyl-(4-phenylmethoxyphenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-benzyloxy-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(N-methylsulfonyl-4-phenylmethoxyanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-benzoxy-N-mesyl-anilino)acetyl]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)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O6S/c1-3-31-23(28)25-15-13-24(14-16-25)22(27)17-26(33(2,29)30)20-9-11-21(12-10-20)32-18-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3