N,N-diethyl-3-nitro-4-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H22N4O7S MolecularWeight: 438.45488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O7S/c1-3-20(4-2)30(28,29)15-9-10-16(17(11-15)22(26)27)19-12-18(23)13-5-7-14(8-6-13)21(24)25/h5-11,18-19,23H,3-4,12H2,1-2H3/t18-/m0/s1