diethyl-[(2R)-3-[(3-nitrophenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2R)-3-[(3-nitrophenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-[N-(benzenesulfonyl)-3-nitro-anilino]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2R)-3-[N-(benzenesulfonyl)-3-nitroanilino]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2R)-3-[N-(benzenesulfonyl)-3-nitroanilino]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2R)-3-(N-besyl-3-nitro-anilino)-2-hydroxy-propyl]-diethyl-ammonium Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC[NH+](CC)C[C@H](CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H25N3O5S/c1-3-20(4-2)14-18(23)15-21(16-9-8-10-17(13-16)22(24)25)28(26,27)19-11-6-5-7-12-19/h5-13,18,23H,3-4,14-15H2,1-2H3/p+1/t18-/m1/s1