[(1R)-1-(4-methoxyphenyl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-methoxyphenyl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-methoxyphenyl)-2-(4-morpholinosulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-methoxyphenyl)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-(4-morpholinosulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C21H29N4O6S+ MolecularWeight: 465.54316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O6S/c1-23(2)21(16-4-6-17(30-3)7-5-16)15-22-19-9-8-18(14-20(19)25(26)27)32(28,29)24-10-12-31-13-11-24/h4-9,14,21-22H,10-13,15H2,1-3H3/p+1/t21-/m0/s1