[(2R)-3-methyl-1-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butan-2-yl]-bis(prop-2-enyl)azanium

Systemtic Name: [(2R)-3-methyl-1-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butan-2-yl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(1R)-2-methyl-1-[(4-morpholinosulfonyl-2-nitro-anilino)methyl]propyl]ammonium CAS Name: [(2R)-3-methyl-1-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butan-2-yl]-bis(prop-2-enyl)ammonium IUPAC Name: [(2R)-3-methyl-1-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butan-2-yl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(1R)-2-methyl-1-[(4-morpholinosulfonyl-2-nitro-anilino)methyl]propyl]ammonium Formula: C21H33N4O5S+ MolecularWeight: 453.57552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O5S/c1-5-9-23(10-6-2)21(17(3)4)16-22-19-8-7-18(15-20(19)25(26)27)31(28,29)24-11-13-30-14-12-24/h5-8,15,17,21-22H,1-2,9-14,16H2,3-4H3/p+1/t21-/m0/s1