butyl N-[3-[4-(cyanomethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate

Systemtic Name: butyl N-[3-[4-(cyanomethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate Openeye Name: butyl N-[[3-[4-(cyanomethyl)phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamate CAS Name: N-[[3-[4-(cyanomethyl)phenyl]-5-(2-methylpropyl)-2-thiophenyl]sulfonyl]carbamic acid butyl ester IUPAC Name: butyl N-[3-[4-(cyanomethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate Traditional Name: N-[[3-[4-(cyanomethyl)phenyl]-5-isobutyl-2-thienyl]sulfonyl]carbamic acid butyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H26N2O4S2/c1-4-5-12-27-21(24)23-29(25,26)20-19(14-18(28-20)13-15(2)3)17-8-6-16(7-9-17)10-11-22/h6-9,14-15H,4-5,10,12-13H2,1-3H3,(H,23,24)