ethyl 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3S)-3-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)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6S/c1-3-29-20(24)16-8-11-21(12-9-16)18-7-6-17(13-19(18)23(25)26)30(27,28)22-10-4-5-15(2)14-22/h6-7,13,15-16H,3-5,8-12,14H2,1-2H3/t15-/m0/s1