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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-3-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(=CC=C2)Cl)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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