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

Systemtic Name: ethyl 4-[2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(benzenesulfonyl)-3,4-dimethyl-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(N-besyl-3,4-dimethyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=C(C=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(20-11-10-18(2)19(3)16-20)32(29,30)21-8-6-5-7-9-21/h5-11,16H,4,12-15,17H2,1-3H3