N-(3-methylsulfanylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]propanamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide Traditional Name: N-[3-(methylthio)phenyl]-2-[4-[(E)-styryl]sulfonylpiperazino]propionamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)SC)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)SC)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c1-18(22(26)23-20-9-6-10-21(17-20)29-2)24-12-14-25(15-13-24)30(27,28)16-11-19-7-4-3-5-8-19/h3-11,16-18H,12-15H2,1-2H3,(H,23,26)/b16-11+