tert-butyl N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propyl]carbamate CAS Name: N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-(4-tosyl-1,4-diazepan-1-yl)propyl]carbamic acid tert-butyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-16-6-8-17(9-7-16)29(26,27)23-13-5-12-22(14-15-23)18(24)10-11-21-19(25)28-20(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,21,25)