ethyl 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoate

Systemtic Name: ethyl 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoate Openeye Name: ethyl 3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoate CAS Name: 3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]-5-hexynoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoate Traditional Name: 3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]hex-5-ynoic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC#C)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CC(CC#C)NS(=O)(=O)C1=CC=CC(=C1)OCCCCNC2=CC=CC=N2

InChI

InChI=1S/C23H29N3O5S/c1-3-10-19(17-23(27)30-4-2)26-32(28,29)21-12-9-11-20(18-21)31-16-8-7-15-25-22-13-5-6-14-24-22/h1,5-6,9,11-14,18-19,26H,4,7-8,10,15-17H2,2H3,(H,24,25)