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

Systemtic Name: 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylazepane Openeye Name: 1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylazepane CAS Name: 1-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylazepane IUPAC Name: 1-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylazepane Traditional Name: 1-(3-nitro-4-pyrrolidino-phenyl)sulfonylazepane Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c20-19(21)16-13-14(7-8-15(16)17-9-5-6-10-17)24(22,23)18-11-3-1-2-4-12-18/h7-8,13H,1-6,9-12H2