dimethyl-[(1S)-2-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[3-(N-tosylanilino)propanoylamino]ethyl]ammonium Formula: C26H32N3O3S+ MolecularWeight: 466.61558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-21-14-16-24(17-15-21)33(31,32)29(23-12-8-5-9-13-23)19-18-26(30)27-20-25(28(2)3)22-10-6-4-7-11-22/h4-17,25H,18-20H2,1-3H3,(H,27,30)/p+1/t25-/m1/s1