[4-(dimethylamino)-3-nitro-phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [4-(dimethylamino)-3-nitro-phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-(dimethylamino)-3-nitro-phenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(dimethylamino)-3-nitrophenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(dimethylamino)-3-nitrophenyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(dimethylamino)-3-nitro-phenyl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O5S/c1-16(2)13-6-5-12(11-14(13)19(21)22)15(20)17-7-4-8-18(10-9-17)25(3,23)24/h5-6,11H,4,7-10H2,1-3H3