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

Systemtic Name: butyl N-[3-(4-cyanophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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