methyl 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoate

Systemtic Name: methyl 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoate Openeye Name: methyl 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoate CAS Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[(4-butoxyphenyl)sulfonylamino]-5-phenylpent-4-ynoate Traditional Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CC#CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CC#CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25NO5S/c1-3-4-17-28-19-13-15-20(16-14-19)29(25,26)23-21(22(24)27-2)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13-16,21,23H,3-4,12,17H2,1-2H3