2-but-2-ynyl-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonyl-hex-4-ynoic acid

Systemtic Name: 2-but-2-ynyl-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonyl-hex-4-ynoic acid Openeye Name: 2-but-2-ynyl-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonyl-hex-4-ynoic acid CAS Name: 2-but-2-ynyl-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonyl-4-hexynoic acid IUPAC Name: 2-but-2-ynyl-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonylhex-4-ynoic acid Traditional Name: 2-but-2-ynyl-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonyl-hex-4-ynoic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)N2CCC3(CC2)OCCO3

Isomeric SMILES

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)N2CCC3(CC2)OCCO3

InChI

InChI=1S/C23H27NO6S/c1-3-5-11-22(21(25)26,12-6-4-2)31(27,28)20-9-7-19(8-10-20)24-15-13-23(14-16-24)29-17-18-30-23/h7-10H,11-18H2,1-2H3,(H,25,26)