ethyl 4-[4-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(6-imidazol-1-yl-3-pyridyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[[6-(1-imidazolyl)-3-pyridinyl]amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-imidazol-1-ylpyridin-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(6-imidazol-1-yl-3-pyridyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C23H25N5O5S/c1-2-33-23(30)18-3-6-20(7-4-18)34(31,32)28-12-9-17(10-13-28)22(29)26-19-5-8-21(25-15-19)27-14-11-24-16-27/h3-8,11,14-17H,2,9-10,12-13H2,1H3,(H,26,29)