2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]pent-4-ynoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]pent-4-ynoic acid Openeye Name: 2-[allyl(p-tolylsulfonyl)amino]pent-4-ynoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-4-pentynoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]pent-4-ynoic acid Traditional Name: 2-[allyl(tosyl)amino]pent-4-ynoic acid Formula: C15H17NO4S MolecularWeight: 307.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(CC#C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(CC#C)C(=O)O

InChI

InChI=1S/C15H17NO4S/c1-4-6-14(15(17)18)16(11-5-2)21(19,20)13-9-7-12(3)8-10-13/h1,5,7-10,14H,2,6,11H2,3H3,(H,17,18)