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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-ethoxy-N-mesyl-anilino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O6S/c1-5-27-17-9-7-16(8-10-17)22(29(4,25)26)15(3)18(23)20-11-13-21(14-12-20)19(24)28-6-2/h7-10,15H,5-6,11-14H2,1-4H3