ethyl 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazine-1-carboxylate Openeye Name: ethyl 4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazine-1-carboxylic acid ethyl ester Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O6S/c1-2-28-18(23)20-12-10-19(11-13-20)16-7-6-15(14-17(16)22(24)25)29(26,27)21-8-4-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3