3-[[[4-(methylamino)-3-nitro-phenyl]carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 3-[[[4-(methylamino)-3-nitro-phenyl]carbonylamino]carbamoyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-3-[[[4-(methylamino)-3-nitro-benzoyl]amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]hydrazo]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[[4-(methylamino)-3-nitrobenzoyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[4-(methylamino)-3-nitro-benzoyl]amino]carbamoyl]benzenesulfonamide Formula: C22H21N5O6S MolecularWeight: 483.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6S/c1-23-19-11-10-17(13-20(19)27(30)31)22(29)26-25-21(28)16-8-5-9-18(12-16)34(32,33)24-14-15-6-3-2-4-7-15/h2-13,23-24H,14H2,1H3,(H,25,28)(H,26,29)