methyl 3-[2-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]phenyl]prop-2-ynoate

Systemtic Name: methyl 3-[2-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]phenyl]prop-2-ynoate Openeye Name: methyl 3-[2-[cyclopenten-1-ylmethyl(p-tolylsulfonyl)amino]phenyl]prop-2-ynoate CAS Name: 3-[2-[1-cyclopentenylmethyl-(4-methylphenyl)sulfonylamino]phenyl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[2-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonylamino]phenyl]prop-2-ynoate Traditional Name: 3-[2-[cyclopenten-1-ylmethyl(tosyl)amino]phenyl]propiolic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCCC2)C3=CC=CC=C3C#CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCCC2)C3=CC=CC=C3C#CC(=O)OC

InChI

InChI=1S/C23H23NO4S/c1-18-11-14-21(15-12-18)29(26,27)24(17-19-7-3-4-8-19)22-10-6-5-9-20(22)13-16-23(25)28-2/h5-7,9-12,14-15H,3-4,8,17H2,1-2H3