2-(4-methylphenyl)sulfonyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]-2-(p-tolylsulfonyl)acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[4-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: N-[4-(4-propargylpiperazino)phenyl]-2-tosyl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC#C

InChI

InChI=1S/C22H25N3O3S/c1-3-12-24-13-15-25(16-14-24)20-8-6-19(7-9-20)23-22(26)17-29(27,28)21-10-4-18(2)5-11-21/h1,4-11H,12-17H2,2H3,(H,23,26)