(E)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]-3-phenyl-prop-2-en-1-one Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c1-29(26,27)18-9-5-8-17-20(18)22-21(28-17)24-14-12-23(13-15-24)19(25)11-10-16-6-3-2-4-7-16/h2-11H,12-15H2,1H3/b11-10+