4-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-yl-propyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-yl-propyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholino-propyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-methyl-2-(4-morpholinyl)propyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2-methyl-2-morpholino-propyl)amine Formula: C20H32N4O5S MolecularWeight: 440.55688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H32N4O5S/c1-20(2,22-11-13-29-14-12-22)16-21-18-8-7-17(15-19(18)24(25)26)30(27,28)23-9-5-3-4-6-10-23/h7-8,15,21H,3-6,9-14,16H2,1-2H3