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

Systemtic Name: ethyl 4-[2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-4-31-23(28)25-15-13-24(14-16-25)22(27)17-26(19-7-5-18(2)6-8-19)33(29,30)21-11-9-20(32-3)10-12-21/h5-12H,4,13-17H2,1-3H3