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

Systemtic Name: ethyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N5O6S MolecularWeight: 441.50188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O6S/c1-3-29-18(24)21-10-8-20(9-11-21)16-5-4-15(14-17(16)23(25)26)30(27,28)22-12-6-19(2)7-13-22/h4-5,14H,3,6-13H2,1-2H3