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

Systemtic Name: dimethyl-[(2R)-1-phenyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-1-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-1-phenyl-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-[(4-pyrrolidinosulfonylbenzoyl)amino]ethyl]-dimethyl-ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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