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

Systemtic Name: ethyl 4-[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(N-mesyl-3-methyl-anilino)methyl]benzoyl]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)C2=CC=C(C=C2)CN(C3=CC=CC(=C3)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

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