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

Systemtic Name: ethyl 4-[4-[[methylsulfonyl(phenyl)amino]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(N-mesylanilino)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)24-15-13-23(14-16-24)21(26)19-11-9-18(10-12-19)17-25(31(2,28)29)20-7-5-4-6-8-20/h4-12H,3,13-17H2,1-2H3