tert-butyl 4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylpiperazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O5S/c1-17-9-11-25(12-10-17)31(28,29)19-7-5-18(6-8-19)20(26)23-13-15-24(16-14-23)21(27)30-22(2,3)4/h5-8,17H,9-16H2,1-4H3