dimethyl-[(1S)-2-[3-[(3-methylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-[(3-methylphenyl)sulfonylamino]propanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[3-(m-tolylsulfonylamino)propanoylamino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[3-[(3-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-[(3-methylphenyl)sulfonylamino]propanoylamino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[3-(m-tolylsulfonylamino)propanoylamino]-1-phenyl-ethyl]ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H27N3O3S/c1-16-8-7-11-18(14-16)27(25,26)22-13-12-20(24)21-15-19(23(2)3)17-9-5-4-6-10-17/h4-11,14,19,22H,12-13,15H2,1-3H3,(H,21,24)/p+1/t19-/m1/s1