N-[2-[1-[4-(methylsulfonylamino)phenyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[1-[4-(methylsulfonylamino)phenyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[1-[4-(methanesulfonamido)phenyl]ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[1-[4-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[1-[4-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[1-[4-(methanesulfonamido)phenyl]ethylamino]ethyl]-3-nitro-benzamide Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NS(=O)(=O)C)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)NS(=O)(=O)C)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S/c1-12(13-6-8-15(9-7-13)21-29(2,27)28)20-17(23)11-19-18(24)14-4-3-5-16(10-14)22(25)26/h3-10,12,21H,11H2,1-2H3,(H,19,24)(H,20,23)