N-methylmethanesulfonamide; 4-(phenylmethyl)benzoic acid

Systemtic Name: N-methylmethanesulfonamide; 4-(phenylmethyl)benzoic acid Openeye Name: 4-benzylbenzoic acid; N-methylmethanesulfonamide CAS Name: N-methylmethanesulfonamide; 4-(phenylmethyl)benzoic acid IUPAC Name: 4-benzylbenzoic acid; N-methylmethanesulfonamide Traditional Name: 4-benzylbenzoic acid; N-methylmethanesulfonamide Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C.C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CNS(=O)(=O)C.C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H12O2.C2H7NO2S/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;1-3-6(2,4)5/h1-9H,10H2,(H,15,16);3H,1-2H3