4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N4O3S/c1-2-11-24-30(28,29)21-9-7-20(8-10-21)22(27)26-14-12-25(13-15-26)17-19-5-3-18(16-23)4-6-19/h1,3-10,24H,11-15,17H2