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

Systemtic Name: ethyl 1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]isonipecotic acid ethyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O6S/c1-3-29-19(24)15-6-8-21(9-7-15)17-5-4-16(14-18(17)23(25)26)30(27,28)22-12-10-20(2)11-13-22/h4-5,14-15H,3,6-13H2,1-2H3