4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H21ClN4O6S MolecularWeight: 456.90054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O6S/c1-4-21(5-2)30(28,29)15-7-9-17(18(11-15)23(26)27)20(3)12-13-10-14(22(24)25)6-8-16(13)19/h6-11H,4-5,12H2,1-3H3