ethyl 4-[2-[(2,3-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2,3-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-2,3-dimethyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-2,3-dimethylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-2,3-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=CC=CC(=C2C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC(=C2C)C)S(=O)(=O)C3=CC=CC=C3

InChI

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