2-[3-(3-bromanyl-5-sulfamoyl-thiophen-2-yl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[3-(3-bromanyl-5-sulfamoyl-thiophen-2-yl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[3-(3-bromo-5-sulfamoyl-2-thienyl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[3-(3-bromo-5-sulfamoyl-2-thiophenyl)phenyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[3-(3-bromo-5-sulfamoylthiophen-2-yl)phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-(3-bromo-5-sulfamoyl-2-thienyl)phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=C(C=C(S2)S(=O)(=O)N)Br)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=C(C=C(S2)S(=O)(=O)N)Br)C(=O)NCC#N

InChI

InChI=1S/C18H20BrN3O3S2/c1-11(2)8-14(18(23)22-7-6-20)12-4-3-5-13(9-12)17-15(19)10-16(26-17)27(21,24)25/h3-5,9-11,14H,7-8H2,1-2H3,(H,22,23)(H2,21,24,25)