methyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate Openeye Name: methyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)isonipecotic acid methyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O6S/c1-26-17(21)13-6-10-18(11-7-13)15-5-4-14(12-16(15)20(22)23)27(24,25)19-8-2-3-9-19/h4-5,12-13H,2-3,6-11H2,1H3