(E)-3-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-benzylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-benzylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-benzylsulfonylpiperazino)prop-2-en-1-one Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S2/c25-21(11-10-20-22-18-8-4-5-9-19(18)28-20)23-12-14-24(15-13-23)29(26,27)16-17-6-2-1-3-7-17/h1-11H,12-16H2/b11-10+