4-methylsulfonyl-N-(4-morpholin-4-ylphenyl)-2-nitro-aniline

Systemtic Name: 4-methylsulfonyl-N-(4-morpholin-4-ylphenyl)-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-(4-morpholinophenyl)-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[4-(4-morpholinyl)phenyl]-2-nitroaniline IUPAC Name: 4-methylsulfonyl-N-(4-morpholin-4-ylphenyl)-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(4-morpholinophenyl)amine Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-26(23,24)15-6-7-16(17(12-15)20(21)22)18-13-2-4-14(5-3-13)19-8-10-25-11-9-19/h2-7,12,18H,8-11H2,1H3