2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[(4-morpholinophenyl)methyl]acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[[4-(4-morpholinyl)phenyl]methyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-(4-morpholinobenzyl)acetamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-31(28,29)23(18-3-2-4-19(13-18)24(26)27)15-20(25)21-14-16-5-7-17(8-6-16)22-9-11-30-12-10-22/h2-8,13H,9-12,14-15H2,1H3,(H,21,25)