tert-butyl N-[3-(4-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(4-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-cyanophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[3-(4-cyanophenyl)-1-(4-methylsulfonyl-1-piperazinyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(4-cyanobenzyl)-2-keto-2-(4-mesylpiperazino)ethyl]carbamic acid tert-butyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)C(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C20H28N4O5S/c1-20(2,3)29-19(26)22-17(13-15-5-7-16(14-21)8-6-15)18(25)23-9-11-24(12-10-23)30(4,27)28/h5-8,17H,9-13H2,1-4H3,(H,22,26)