2-methyl-5-[(3-methylbutanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-[(3-methylbutanoylamino)carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-2-methyl-5-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide CAS Name: 2-methyl-5-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-2-methyl-5-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-5-[(isovalerylamino)carbamoyl]-2-methyl-benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)CC(C)C)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)CC(C)C)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4S/c1-14(2)11-19(24)22-23-20(25)17-10-9-15(3)18(12-17)28(26,27)21-13-16-7-5-4-6-8-16/h4-10,12,14,21H,11,13H2,1-3H3,(H,22,24)(H,23,25)