ethyl 4-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorobenzyl)-tosyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28ClN3O5S MolecularWeight: 494.00352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28ClN3O5S/c1-3-32-23(29)26-14-12-25(13-15-26)22(28)17-27(16-19-6-8-20(24)9-7-19)33(30,31)21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3