N-[3-(3-butyl-1-oxidanyl-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl)prop-2-ynyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Systemtic Name: N-[3-(3-butyl-1-oxidanyl-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl)prop-2-ynyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide Openeye Name: N-[3-(3-butyl-1-hydroxy-2-isopropoxy-4-oxo-cyclobut-2-en-1-yl)prop-2-ynyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide CAS Name: N-[3-(3-butyl-1-hydroxy-4-oxo-2-propan-2-yloxy-1-cyclobut-2-enyl)prop-2-ynyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide IUPAC Name: N-[3-(3-butyl-1-hydroxy-4-oxo-2-propan-2-yloxycyclobut-2-en-1-yl)prop-2-ynyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide Traditional Name: N-[3-(3-butyl-1-hydroxy-2-isopropoxy-4-keto-cyclobut-2-en-1-yl)prop-2-ynyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide Formula: C29H31NO5S MolecularWeight: 505.62514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C1=O)(C#CCN(CC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)OC(C)C

Isomeric SMILES

CCCCC1=C(C(C1=O)(C#CCN(CC#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)OC(C)C

InChI

InChI=1S/C29H31NO5S/c1-4-5-19-26-27(31)29(32,28(26)35-23(2)3)20-13-22-30(21-12-16-24-14-8-6-9-15-24)36(33,34)25-17-10-7-11-18-25/h6-11,14-15,17-18,23,32H,4-5,19,21-22H2,1-3H3