methyl (2R)-2-[(4-methylphenyl)sulfonylamino]-5-[2-(4-oxidanylbut-1-ynyl)phenyl]pent-4-ynoate

Systemtic Name: methyl (2R)-2-[(4-methylphenyl)sulfonylamino]-5-[2-(4-oxidanylbut-1-ynyl)phenyl]pent-4-ynoate Openeye Name: methyl (2R)-5-[2-(4-hydroxybut-1-ynyl)phenyl]-2-(p-tolylsulfonylamino)pent-4-ynoate CAS Name: (2R)-5-[2-(4-hydroxybut-1-ynyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-pentynoic acid methyl ester IUPAC Name: methyl (2R)-5-[2-(4-hydroxybut-1-ynyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate Traditional Name: (2R)-5-[2-(4-hydroxybut-1-ynyl)phenyl]-2-(tosylamino)pent-4-ynoic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC#CC2=CC=CC=C2C#CCCO)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC#CC2=CC=CC=C2C#CCCO)C(=O)OC

InChI

InChI=1S/C23H23NO5S/c1-18-13-15-21(16-14-18)30(27,28)24-22(23(26)29-2)12-7-11-20-9-4-3-8-19(20)10-5-6-17-25/h3-4,8-9,13-16,22,24-25H,6,12,17H2,1-2H3/t22-/m1/s1