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

Systemtic Name: methyl-(naphthalen-2-ylmethyl)-[(2S)-1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl]-(2-naphthylmethyl)ammonium CAS Name: methyl-(2-naphthalenylmethyl)-[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: methyl-(naphthalen-2-ylmethyl)-[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+](C)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)[NH+](C)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23N3O3S/c1-15(21(25)23-19-8-5-9-20(13-19)28(22,26)27)24(2)14-16-10-11-17-6-3-4-7-18(17)12-16/h3-13,15H,14H2,1-2H3,(H,23,25)(H2,22,26,27)/p+1/t15-/m0/s1