[2-(azepan-1-ylsulfonyl)-5-nitro-phenyl]diazane

Systemtic Name: [2-(azepan-1-ylsulfonyl)-5-nitro-phenyl]diazane Openeye Name: [2-(azepan-1-ylsulfonyl)-5-nitro-phenyl]hydrazine CAS Name: [2-(1-azepanylsulfonyl)-5-nitrophenyl]hydrazine IUPAC Name: [2-(azepan-1-ylsulfonyl)-5-nitrophenyl]hydrazine Traditional Name: [2-(azepan-1-ylsulfonyl)-5-nitro-phenyl]hydrazine Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NN

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NN

InChI

InChI=1S/C12H18N4O4S/c13-14-11-9-10(16(17)18)5-6-12(11)21(19,20)15-7-3-1-2-4-8-15/h5-6,9,14H,1-4,7-8,13H2