(2R)-3-methyl-N1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N2,N2-bis(prop-2-enyl)butane-1,2-diamine

Systemtic Name: (2R)-3-methyl-N1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N2,N2-bis(prop-2-enyl)butane-1,2-diamine Openeye Name: (2R)-N2,N2-diallyl-3-methyl-N1-(4-morpholinosulfonyl-2-nitro-phenyl)butane-1,2-diamine CAS Name: (2R)-3-methyl-N1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N2,N2-bis(prop-2-enyl)butane-1,2-diamine IUPAC Name: (2R)-3-methyl-1-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-2-N,2-N-bis(prop-2-enyl)butane-1,2-diamine Traditional Name: diallyl-[(1R)-2-methyl-1-[(4-morpholinosulfonyl-2-nitro-anilino)methyl]propyl]amine Formula: C21H32N4O5S MolecularWeight: 452.56758

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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-])N(CC=C)CC=C

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])N(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/t21-/m0/s1