(3-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: (3-methoxyphenyl)methyl-[(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: (3-methoxyphenyl)methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: (3-methoxyphenyl)methyl-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]-m-anisyl-ammonium Formula: C17H22N3O4S+ MolecularWeight: 364.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH2+]CC2=CC(=CC=C2)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH2+]CC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H21N3O4S/c1-12(19-11-13-4-3-5-15(10-13)24-2)17(21)20-14-6-8-16(9-7-14)25(18,22)23/h3-10,12,19H,11H2,1-2H3,(H,20,21)(H2,18,22,23)/p+1/t12-/m0/s1