1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-1,4-diazepane Traditional Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-1,4-diazepane Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCNCC3)C

InChI

InChI=1S/C19H23N3O5S/c1-14-10-15(2)12-17(11-14)27-18-5-4-16(22(23)24)13-19(18)28(25,26)21-8-3-6-20-7-9-21/h4-5,10-13,20H,3,6-9H2,1-2H3