azanyl 2-(4-iodophenyl)sulfonyl-2-methyl-5-phenyl-pent-4-ynoate

Systemtic Name: azanyl 2-(4-iodophenyl)sulfonyl-2-methyl-5-phenyl-pent-4-ynoate Openeye Name: amino 2-(4-iodophenyl)sulfonyl-2-methyl-5-phenyl-pent-4-ynoate CAS Name: 2-(4-iodophenyl)sulfonyl-2-methyl-5-phenyl-4-pentynoic acid amino ester IUPAC Name: amino 2-(4-iodophenyl)sulfonyl-2-methyl-5-phenylpent-4-ynoate Traditional Name: 2-(4-iodophenyl)sulfonyl-2-methyl-5-phenyl-pent-4-ynoic acid amino ester Formula: C18H16INO4S MolecularWeight: 469.29341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC1=CC=CC=C1)(C(=O)ON)S(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(CC#CC1=CC=CC=C1)(C(=O)ON)S(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H16INO4S/c1-18(17(21)24-20,13-5-8-14-6-3-2-4-7-14)25(22,23)16-11-9-15(19)10-12-16/h2-4,6-7,9-12H,13,20H2,1H3