[4-[(2-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: morpholino-[3-nitro-4-(o-tolylmethylsulfonyl)phenyl]methanone CAS Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(2-methylbenzyl)sulfonyl-3-nitro-phenyl]-morpholino-methanone Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-14-4-2-3-5-16(14)13-28(25,26)18-7-6-15(12-17(18)21(23)24)19(22)20-8-10-27-11-9-20/h2-7,12H,8-11,13H2,1H3