3-[3-[3-(dimethylamino)prop-1-ynyl]-1-(phenylsulfonyl)indol-5-yl]prop-2-yn-1-ol

Systemtic Name: 3-[3-[3-(dimethylamino)prop-1-ynyl]-1-(phenylsulfonyl)indol-5-yl]prop-2-yn-1-ol Openeye Name: 3-[1-(benzenesulfonyl)-3-[3-(dimethylamino)prop-1-ynyl]indol-5-yl]prop-2-yn-1-ol CAS Name: 3-[1-(benzenesulfonyl)-3-[3-(dimethylamino)prop-1-ynyl]-5-indolyl]-2-propyn-1-ol IUPAC Name: 3-[1-(benzenesulfonyl)-3-[3-(dimethylamino)prop-1-ynyl]indol-5-yl]prop-2-yn-1-ol Traditional Name: 3-[1-besyl-3-[3-(dimethylamino)prop-1-ynyl]indol-5-yl]prop-2-yn-1-ol Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CN(C2=C1C=C(C=C2)C#CCO)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)CC#CC1=CN(C2=C1C=C(C=C2)C#CCO)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-23(2)14-6-9-19-17-24(28(26,27)20-10-4-3-5-11-20)22-13-12-18(8-7-15-25)16-21(19)22/h3-5,10-13,16-17,25H,14-15H2,1-2H3