ethyl 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]isonipecotic acid ethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6S/c1-3-29-20(24)16-8-10-21(11-9-16)18-5-4-17(14-19(18)23(25)26)30(27,28)22-12-6-15(2)7-13-22/h4-5,14-16H,3,6-13H2,1-2H3