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

Systemtic Name: ethyl 4-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H31N3O6S2/c1-4-32-22-9-7-6-8-21(22)27(35(30,31)20-12-10-19(34-3)11-13-20)18-23(28)25-14-16-26(17-15-25)24(29)33-5-2/h6-13H,4-5,14-18H2,1-3H3