[4-(2-methylbutanoylamino)phenyl]sulfonyl-(phenoxymethyl)azanide

Systemtic Name: [4-(2-methylbutanoylamino)phenyl]sulfonyl-(phenoxymethyl)azanide Openeye Name: [4-(2-methylbutanoylamino)phenyl]sulfonyl-(phenoxymethyl)azanide CAS Name: [4-[(2-methyl-1-oxobutyl)amino]phenyl]sulfonyl-(phenoxymethyl)azanide IUPAC Name: [4-(2-methylbutanoylamino)phenyl]sulfonyl-(phenoxymethyl)azanide Traditional Name: [4-(2-methylbutanoylamino)phenyl]sulfonyl-(phenoxymethyl)azanide Formula: C18H21N2O4S- MolecularWeight: 361.43534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]COC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]COC2=CC=CC=C2

InChI

InChI=1S/C18H21N2O4S/c1-3-14(2)18(21)20-15-9-11-17(12-10-15)25(22,23)19-13-24-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,20,21)/q-1