[(2R)-1-oxidanylidene-3-phenyl-1-[(2S)-2-[(4-sulfamoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]azanium

Systemtic Name: [(2R)-1-oxidanylidene-3-phenyl-1-[(2S)-2-[(4-sulfamoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-oxo-2-[(2S)-2-[(4-sulfamoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]ethyl]ammonium CAS Name: [(2R)-1-oxo-1-[(2S)-2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]-1-pyrrolidinyl]-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2R)-1-oxo-3-phenyl-1-[(2S)-2-[(4-sulfamoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-keto-2-[(2S)-2-[(4-sulfamoylbenzyl)carbamoyl]pyrrolidino]ethyl]ammonium Formula: C21H27N4O4S+ MolecularWeight: 431.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)[NH3+])C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)[NH3+])C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H26N4O4S/c22-18(13-15-5-2-1-3-6-15)21(27)25-12-4-7-19(25)20(26)24-14-16-8-10-17(11-9-16)30(23,28)29/h1-3,5-6,8-11,18-19H,4,7,12-14,22H2,(H,24,26)(H2,23,28,29)/p+1/t18-,19+/m1/s1