ethyl 3-bromanyl-4-[4-(pyridin-4-ylcarbonylamino)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[4-(pyridin-4-ylcarbonylamino)piperidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[[4-(pyridine-4-carbonylamino)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[4-[[oxo(pyridin-4-yl)methyl]amino]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-(pyridine-4-carbonylamino)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-(4-isonicotinamidopiperidino)sulfonyl-benzoic acid ethyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=NC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=NC=C3)Br

InChI

InChI=1S/C20H22BrN3O5S/c1-2-29-20(26)15-3-4-18(17(21)13-15)30(27,28)24-11-7-16(8-12-24)23-19(25)14-5-9-22-10-6-14/h3-6,9-10,13,16H,2,7-8,11-12H2,1H3,(H,23,25)