methyl 3-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[1-(2-ethylsulfonylethyl)-2-imidazolyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[1-(2-esylethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H26N4O7S/c1-3-33(30,31)11-10-23-9-6-22-19(23)15-4-7-24(8-5-15)20(26)16-12-17(21(27)32-2)14-18(13-16)25(28)29/h6,9,12-15H,3-5,7-8,10-11H2,1-2H3