2-(methylamino)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-nitro-benzamide

Systemtic Name: 2-(methylamino)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-nitro-benzamide Openeye Name: 2-(methylamino)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-5-nitro-benzamide CAS Name: 2-(methylamino)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-nitrobenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(methylamino)-5-nitro-benzamide Formula: C17H19N5O7S MolecularWeight: 437.42706

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O7S/c1-18-14-5-3-11(21(24)25)9-13(14)17(23)20-8-7-19-15-6-4-12(30(2,28)29)10-16(15)22(26)27/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,20,23)