3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C)C

InChI

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