butyl N-[6-cyano-2-(4-methylsulfonylpiperazin-1-yl)-3-(3-oxidanylidenepropyl)phenyl]carbamate

Systemtic Name: butyl N-[6-cyano-2-(4-methylsulfonylpiperazin-1-yl)-3-(3-oxidanylidenepropyl)phenyl]carbamate Openeye Name: butyl N-[6-cyano-2-(4-methylsulfonylpiperazin-1-yl)-3-(3-oxopropyl)phenyl]carbamate CAS Name: N-[6-cyano-2-(4-methylsulfonyl-1-piperazinyl)-3-(3-oxopropyl)phenyl]carbamic acid butyl ester IUPAC Name: butyl N-[6-cyano-2-(4-methylsulfonylpiperazin-1-yl)-3-(3-oxopropyl)phenyl]carbamate Traditional Name: N-[6-cyano-3-(3-ketopropyl)-2-(4-mesylpiperazino)phenyl]carbamic acid butyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C=CC(=C1N2CCN(CC2)S(=O)(=O)C)CCC=O)C#N

Isomeric SMILES

CCCCOC(=O)NC1=C(C=CC(=C1N2CCN(CC2)S(=O)(=O)C)CCC=O)C#N

InChI

InChI=1S/C20H28N4O5S/c1-3-4-14-29-20(26)22-18-17(15-21)8-7-16(6-5-13-25)19(18)23-9-11-24(12-10-23)30(2,27)28/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,22,26)