ethyl 2-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O7S/c1-2-31-20(25)15-32(29,30)19-9-8-16(14-18(19)24(27)28)21(26)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3