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

Systemtic Name: ethyl 4-[2-[[2-methyl-3-(4-methylphenyl)sulfonyl-phenyl]amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-methyl-3-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-methyl-3-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-methyl-3-(4-methylphenyl)sulfonylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-methyl-3-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)CNC2=C(C(=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC2=C(C(=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

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