[4-(prop-2-ynylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(prop-2-ynylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(prop-2-ynylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(prop-2-ynylamino)methyl]phenyl] ester IUPAC Name: [4-(prop-2-ynylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(propargylcarbamoyl)phenyl] ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC#C

InChI

InChI=1S/C18H17NO4S/c1-4-11-19-18(20)15-7-9-16(10-8-15)23-24(21,22)17-12-13(2)5-6-14(17)3/h1,5-10,12H,11H2,2-3H3,(H,19,20)