1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]azepane

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]azepane Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]azepane CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]azepane IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]azepane Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]azepane Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4S/c22-21(23)18-15-16(26(24,25)20-13-7-3-4-8-14-20)9-10-17(18)19-11-5-1-2-6-12-19/h9-10,15H,1-8,11-14H2