ethyl 4-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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