4-[(3-chlorophenyl)methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3-chlorophenyl)methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(3-chlorophenyl)methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3-chlorophenyl)methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3-chlorophenyl)methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(3-chlorobenzyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H20ClN3O4S MolecularWeight: 397.8764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN3O4S/c1-3-20(4-2)26(24,25)15-8-9-16(17(11-15)21(22)23)19-12-13-6-5-7-14(18)10-13/h5-11,19H,3-4,12H2,1-2H3