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

Systemtic Name: 4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S2/c1-2-12-23-30(27,28)21-10-8-19(9-11-21)22(26)25-15-13-24(14-16-25)17-18-29-20-6-4-3-5-7-20/h1,3-11,23H,12-18H2