ethyl 4-[2-[(2,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,5-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2,5-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,5-dimethyl-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-5-32-24(29)26-14-12-25(13-15-26)23(28)17-27(22-16-19(3)6-9-20(22)4)33(30,31)21-10-7-18(2)8-11-21/h6-11,16H,5,12-15,17H2,1-4H3