dimethyl-[(2R)-1-phenyl-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-1-phenyl-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-1-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-1-phenyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-[(3-pyrrolidinosulfonylbenzoyl)amino]ethyl]-dimethyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-24(2)20(15-18-9-4-3-5-10-18)17-23-22(26)19-11-8-12-21(16-19)29(27,28)25-13-6-7-14-25/h3-5,8-12,16,20H,6-7,13-15,17H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1