butyl 2-[[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 2-[[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-[4-(5-pyrimidinyl)phenyl]sulfonyl-1-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[4-(5-pyrimidyl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoic acid butyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CN=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CN=C4

InChI

InChI=1S/C27H30N4O5S/c1-2-3-16-36-26(32)24-6-4-5-7-25(24)30-27(33)31-14-12-23(13-15-31)37(34,35)22-10-8-20(9-11-22)21-17-28-19-29-18-21/h4-11,17-19,23H,2-3,12-16H2,1H3,(H,30,33)