ethyl 4-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3,4-dimethyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3,4-dimethyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[3,4-dimethyl-5-(4-methylpiperidino)sulfonyl-benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C(=C2)S(=O)(=O)N3CCC(CC3)C)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C(=C2)S(=O)(=O)N3CCC(CC3)C)C)C

InChI

InChI=1S/C22H33N3O5S/c1-5-30-22(27)24-12-10-23(11-13-24)21(26)19-14-17(3)18(4)20(15-19)31(28,29)25-8-6-16(2)7-9-25/h14-16H,5-13H2,1-4H3