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

Systemtic Name: ethyl 4-[2-[(4-ethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-ethyl-N-(p-tolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-ethyl-N-tosyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H31N3O5S/c1-4-20-8-10-21(11-9-20)27(33(30,31)22-12-6-19(3)7-13-22)18-23(28)25-14-16-26(17-15-25)24(29)32-5-2/h6-13H,4-5,14-18H2,1-3H3