tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(4-mesylphenyl)-1,4-diazepan-1-yl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H39N3O4S/c1-24(2,3)31-23(28)27-16-11-20(12-17-27)10-15-25-13-5-14-26(19-18-25)21-6-8-22(9-7-21)32(4,29)30/h6-9,20H,5,10-19H2,1-4H3