ethyl 4-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,5-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-2,5-dimethyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-2,5-dimethyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-4-31-23(28)25-14-12-24(13-15-25)22(27)17-26(21-16-18(2)10-11-19(21)3)32(29,30)20-8-6-5-7-9-20/h5-11,16H,4,12-15,17H2,1-3H3