3-[1-(phenylsulfonyl)indol-4-yl]prop-2-ynyl 2,2-dimethylpropanoate

Systemtic Name: 3-[1-(phenylsulfonyl)indol-4-yl]prop-2-ynyl 2,2-dimethylpropanoate Openeye Name: 3-[1-(benzenesulfonyl)indol-4-yl]prop-2-ynyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-[1-(benzenesulfonyl)-4-indolyl]prop-2-ynyl ester IUPAC Name: 3-[1-(benzenesulfonyl)indol-4-yl]prop-2-ynyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 3-(1-besylindol-4-yl)prop-2-ynyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC#CC1=C2C=CN(C2=CC=C1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCC#CC1=C2C=CN(C2=CC=C1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4S/c1-22(2,3)21(24)27-16-8-10-17-9-7-13-20-19(17)14-15-23(20)28(25,26)18-11-5-4-6-12-18/h4-7,9,11-15H,16H2,1-3H3