methyl 5-(2-but-3-en-1-ynylphenyl)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate

Systemtic Name: methyl 5-(2-but-3-en-1-ynylphenyl)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate Openeye Name: methyl 5-(2-but-3-en-1-ynylphenyl)-2-(p-tolylsulfonylamino)pent-4-ynoate CAS Name: 5-(2-but-3-en-1-ynylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-pentynoic acid methyl ester IUPAC Name: methyl 5-(2-but-3-en-1-ynylphenyl)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate Traditional Name: 5-(2-but-3-en-1-ynylphenyl)-2-(tosylamino)pent-4-ynoic acid methyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c1-4-5-9-19-10-6-7-11-20(19)12-8-13-22(23(25)28-3)24-29(26,27)21-16-14-18(2)15-17-21/h4,6-7,10-11,14-17,22,24H,1,13H2,2-3H3