methyl 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]isonipecotic acid methyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c1-28-19(23)15-8-12-20(13-9-15)17-7-6-16(14-18(17)22(24)25)29(26,27)21-10-4-2-3-5-11-21/h6-7,14-15H,2-5,8-13H2,1H3