diethyl-[(2S)-1-phenyl-3-[[4-(phenylsulfonylamino)phenyl]carbonylamino]propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-phenyl-3-[[4-(phenylsulfonylamino)phenyl]carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-[[[4-(benzenesulfonamido)benzoyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[[4-(benzenesulfonamido)phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[[4-(benzenesulfonamido)benzoyl]amino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-[[[4-(benzenesulfonamido)benzoyl]amino]methyl]-2-phenyl-ethyl]-diethyl-ammonium Formula: C26H32N3O3S+ MolecularWeight: 466.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O3S/c1-3-29(4-2)24(19-21-11-7-5-8-12-21)20-27-26(30)22-15-17-23(18-16-22)28-33(31,32)25-13-9-6-10-14-25/h5-18,24,28H,3-4,19-20H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1