methyl 5-phenyl-2-[[4-[(5-propylpyridin-2-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 5-phenyl-2-[[4-[(5-propylpyridin-2-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 5-phenyl-2-[[4-[(5-propylpyridine-2-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[[oxo-(5-propyl-2-pyridinyl)methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-[(5-propylpyridine-2-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 5-phenyl-2-[[4-[(5-propylpicolinoyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCC1=CN=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H27N3O5S/c1-3-8-21-13-18-24(28-19-21)26(31)29-22-14-16-23(17-15-22)36(33,34)30-25(27(32)35-2)12-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-19,25,30H,3,8,12H2,1-2H3,(H,29,31)