N-[1-(4-methylsulfonylphenyl)ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-4-morpholino-3-nitro-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-14(15-3-6-17(7-4-15)30(2,27)28)21-20(24)16-5-8-18(19(13-16)23(25)26)22-9-11-29-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)