N'-(4-chlorophenyl)sulfonyl-N-(3-methylbutanoylamino)benzenecarboximidamide

Systemtic Name: N'-(4-chlorophenyl)sulfonyl-N-(3-methylbutanoylamino)benzenecarboximidamide Openeye Name: N'-(4-chlorophenyl)sulfonyl-N-(3-methylbutanoylamino)benzamidine CAS Name: N'-(4-chlorophenyl)sulfonyl-N-[(3-methyl-1-oxobutyl)amino]benzenecarboximidamide IUPAC Name: N'-(4-chlorophenyl)sulfonyl-N-(3-methylbutanoylamino)benzenecarboximidamide Traditional Name: N'-(4-chlorophenyl)sulfonyl-N-(isovalerylamino)benzamidine Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NN/C(=N\S(=O)(=O)C1=CC=C(C=C1)Cl)/C2=CC=CC=C2

InChI

InChI=1S/C18H20ClN3O3S/c1-13(2)12-17(23)20-21-18(14-6-4-3-5-7-14)22-26(24,25)16-10-8-15(19)9-11-16/h3-11,13H,12H2,1-2H3,(H,20,23)(H,21,22)