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

Systemtic Name: ethyl 4-[4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3-chloro-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3-chloro-N-mesyl-anilino)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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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)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O5S/c1-3-31-22(28)25-13-11-24(12-14-25)21(27)18-9-7-17(8-10-18)16-26(32(2,29)30)20-6-4-5-19(23)15-20/h4-10,15H,3,11-14,16H2,1-2H3