(5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C21H24FN3O7S MolecularWeight: 481.494563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24FN3O7S/c1-3-32-20-13-17(18(25(27)28)14-19(20)31-2)21(26)23-9-4-10-24(12-11-23)33(29,30)16-7-5-15(22)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3