tert-butyl 4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-mesylphenyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H37N3O4S MolecularWeight: 451.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H37N3O4S/c1-23(2,3)30-22(27)26-14-10-19(11-15-26)18-24-12-5-13-25(17-16-24)20-6-8-21(9-7-20)31(4,28)29/h6-9,19H,5,10-18H2,1-4H3