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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-ol Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-ol CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinol IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidin-4-ol Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-ol Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c21-14-7-11-18(12-8-14)16-6-5-15(13-17(16)20(22)23)26(24,25)19-9-3-1-2-4-10-19/h5-6,13-14,21H,1-4,7-12H2