dimethyl-[3-[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]carbonylamino]propyl]azanium Openeye Name: 3-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[4-[methylsulfonyl-(phenylmethyl)amino]phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: 3-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[benzyl(mesyl)amino]benzoyl]amino]propyl-dimethyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C

InChI

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