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

Systemtic Name: ethyl 4-[2-[(2-chloranyl-3-methylsulfonyl-phenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-chloro-3-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-chloro-3-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-chloro-3-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-chloro-3-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22ClN3O5S MolecularWeight: 403.88098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC2=C(C(=CC=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC2=C(C(=CC=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H22ClN3O5S/c1-3-25-16(22)20-9-7-19(8-10-20)14(21)11-18-12-5-4-6-13(15(12)17)26(2,23)24/h4-6,18H,3,7-11H2,1-2H3