2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[(4-butoxyphenyl)sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-2-3-16-27-18-12-14-19(15-13-18)28(25,26)22-20(21(23)24)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-15,20,22H,2-3,11,16H2,1H3,(H,23,24)