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

Systemtic Name: methyl 3-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[4-[1-(2-tosylethyl)imidazol-2-yl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C26H28N4O7S MolecularWeight: 540.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H28N4O7S/c1-18-3-5-23(6-4-18)38(35,36)14-13-28-12-9-27-24(28)19-7-10-29(11-8-19)25(31)20-15-21(26(32)37-2)17-22(16-20)30(33)34/h3-6,9,12,15-17,19H,7-8,10-11,13-14H2,1-2H3