tert-butyl 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-(4-tosyl-1,4-diazepane-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O5S/c1-18-6-8-20(9-7-18)32(29,30)26-13-5-12-24(16-17-26)21(27)19-10-14-25(15-11-19)22(28)31-23(2,3)4/h6-9,19H,5,10-17H2,1-4H3