1-(3-nitro-4-piperidin-1-yl-phenyl)sulfonylazepane

Systemtic Name: 1-(3-nitro-4-piperidin-1-yl-phenyl)sulfonylazepane Openeye Name: 1-[3-nitro-4-(1-piperidyl)phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-(1-piperidinyl)phenyl]sulfonylazepane IUPAC Name: 1-(3-nitro-4-piperidin-1-ylphenyl)sulfonylazepane Traditional Name: 1-(3-nitro-4-piperidino-phenyl)sulfonylazepane Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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