ethyl 4-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-methyl-N-tosyl-anilino)propanoyl]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)CCN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-4-32-24(29)26-17-15-25(16-18-26)23(28)13-14-27(21-9-5-19(2)6-10-21)33(30,31)22-11-7-20(3)8-12-22/h5-12H,4,13-18H2,1-3H3