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

Systemtic Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-ethoxy-5-methoxy-2-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (4-ethoxy-5-methoxy-2-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-4-32-21-15-19(25(27)28)18(14-20(21)31-3)22(26)23-10-5-11-24(13-12-23)33(29,30)17-8-6-16(2)7-9-17/h6-9,14-15H,4-5,10-13H2,1-3H3