1-(4-nitro-2-piperidin-1-ylsulfonyl-phenyl)azepane

Systemtic Name: 1-(4-nitro-2-piperidin-1-ylsulfonyl-phenyl)azepane Openeye Name: 1-[4-nitro-2-(1-piperidylsulfonyl)phenyl]azepane CAS Name: 1-[4-nitro-2-(1-piperidinylsulfonyl)phenyl]azepane IUPAC Name: 1-(4-nitro-2-piperidin-1-ylsulfonylphenyl)azepane Traditional Name: 1-(4-nitro-2-piperidinosulfonyl-phenyl)azepane Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H25N3O4S/c21-20(22)15-8-9-16(18-10-4-1-2-5-11-18)17(14-15)25(23,24)19-12-6-3-7-13-19/h8-9,14H,1-7,10-13H2