ethyl 4-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-ethoxy-N-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-4-26-16-8-6-7-15(13-16)21(28(3,24)25)14-17(22)19-9-11-20(12-10-19)18(23)27-5-2/h6-8,13H,4-5,9-12,14H2,1-3H3