2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H18N4O3S2/c22-15-16-5-1-4-8-19(16)30(27,28)25-13-11-24(12-14-25)21(26)10-9-20-23-17-6-2-3-7-18(17)29-20/h1-10H,11-14H2/b10-9+