2-[4-(phenylsulfonyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-(4-besylpiperazino)acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c1-2-16-28-20-11-7-6-10-19(20)22-21(25)17-23-12-14-24(15-13-23)29(26,27)18-8-4-3-5-9-18/h2-11H,1,12-17H2,(H,22,25)