N-(3-methylbutanoylamino)-N'-(phenylsulfonyl)benzenecarboximidamide

Systemtic Name: N-(3-methylbutanoylamino)-N'-(phenylsulfonyl)benzenecarboximidamide Openeye Name: N'-(benzenesulfonyl)-N-(3-methylbutanoylamino)benzamidine CAS Name: N'-(benzenesulfonyl)-N-[(3-methyl-1-oxobutyl)amino]benzenecarboximidamide IUPAC Name: N'-(benzenesulfonyl)-N-(3-methylbutanoylamino)benzenecarboximidamide Traditional Name: N'-besyl-N-(isovalerylamino)benzamidine Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-14(2)13-17(22)19-20-18(15-9-5-3-6-10-15)21-25(23,24)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,19,22)(H,20,21)