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

Systemtic Name: ethyl 4-[2-[(3-methylphenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-methyl-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-methyl-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-mesyl-3-methyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S/c1-4-25-17(22)19-10-8-18(9-11-19)16(21)13-20(26(3,23)24)15-7-5-6-14(2)12-15/h5-7,12H,4,8-11,13H2,1-3H3