dimethyl-[(2S)-1-phenyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]ethyl]-dimethyl-ammonium Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C24H33N3O3S/c1-26(2)22(18-21-8-4-3-5-9-21)19-25-24(28)15-12-20-10-13-23(14-11-20)31(29,30)27-16-6-7-17-27/h3-5,8-11,13-14,22H,6-7,12,15-19H2,1-2H3,(H,25,28)/p+1/t22-/m0/s1