N-(3-methyl-2-morpholin-4-yl-butyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methyl-2-morpholin-4-yl-butyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-methyl-2-morpholino-butyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-methyl-2-(4-morpholinyl)butyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-methyl-2-morpholin-4-ylbutyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(3-methyl-2-morpholino-butyl)amine Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C16H25N3O5S/c1-12(2)16(18-6-8-24-9-7-18)11-17-14-5-4-13(25(3,22)23)10-15(14)19(20)21/h4-5,10,12,16-17H,6-9,11H2,1-3H3