ethyl 4-[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[methyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S2/c1-4-30-22(27)25-15-13-24(14-16-25)21(26)17-5-7-18(8-6-17)23(2)32(28,29)20-11-9-19(31-3)10-12-20/h5-12H,4,13-16H2,1-3H3