methyl 5-phenyl-2-[[4-[(1-pyrrolidin-1-yl-2H-pyridin-5-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 5-phenyl-2-[[4-[(1-pyrrolidin-1-yl-2H-pyridin-5-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoate Openeye Name: methyl 5-phenyl-2-[[4-[(1-pyrrolidin-1-yl-2H-pyridine-5-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoate CAS Name: 2-[[4-[[oxo-[1-(1-pyrrolidinyl)-2H-pyridin-5-yl]methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-[(1-pyrrolidin-1-yl-2H-pyridine-5-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoate Traditional Name: 5-phenyl-2-[[4-[(1-pyrrolidino-2H-pyridine-5-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid methyl ester Formula: C28H30N4O5S MolecularWeight: 534.6266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(CC=C3)N4CCCC4

Isomeric SMILES

COC(=O)C(CC#CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(CC=C3)N4CCCC4

InChI

InChI=1S/C28H30N4O5S/c1-37-28(34)26(13-7-11-22-9-3-2-4-10-22)30-38(35,36)25-16-14-24(15-17-25)29-27(33)23-12-8-20-32(21-23)31-18-5-6-19-31/h2-4,8-10,12,14-17,21,26,30H,5-6,13,18-20H2,1H3,(H,29,33)