ethyl 4-[2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-4-chloro-2-methyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-4-chloro-2-methyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O5S/c1-3-31-22(28)25-13-11-24(12-14-25)21(27)16-26(20-10-9-18(23)15-17(20)2)32(29,30)19-7-5-4-6-8-19/h4-10,15H,3,11-14,16H2,1-2H3