4-(2-methoxyethylamino)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-nitro-benzamide

Systemtic Name: 4-(2-methoxyethylamino)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-nitro-benzamide Openeye Name: 4-(2-methoxyethylamino)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-nitro-benzamide CAS Name: 4-(2-methoxyethylamino)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide IUPAC Name: 4-(2-methoxyethylamino)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C19H23N5O8S MolecularWeight: 481.47962

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O8S/c1-32-10-9-21-15-5-3-13(11-17(15)23(26)27)19(25)22-8-7-20-16-6-4-14(33(2,30)31)12-18(16)24(28)29/h3-6,11-12,20-21H,7-10H2,1-2H3,(H,22,25)