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

Systemtic Name: ethyl 4-[2-[(2-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-methyl-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O5S/c1-4-31-23(28)25-15-13-24(14-16-25)22(27)17-26(21-8-6-5-7-19(21)3)32(29,30)20-11-9-18(2)10-12-20/h5-12H,4,13-17H2,1-3H3