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

Systemtic Name: ethyl 4-[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H29N3O5S2/c1-4-26(33(29,30)21-12-10-20(32-3)11-13-21)19-8-6-18(7-9-19)22(27)24-14-16-25(17-15-24)23(28)31-5-2/h6-13H,4-5,14-17H2,1-3H3