[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-3-yl]methanol

Systemtic Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-3-yl]methanol Openeye Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3-piperidyl]methanol CAS Name: [1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-3-piperidinyl]methanol IUPAC Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidin-3-yl]methanol Traditional Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-3-piperidyl]methanol Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CO)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c22-14-15-6-5-9-19(13-15)17-8-7-16(12-18(17)21(23)24)27(25,26)20-10-3-1-2-4-11-20/h7-8,12,15,22H,1-6,9-11,13-14H2