2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl (E)-3-(3-chlorophenyl)prop-2-enoate

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl (E)-3-(3-chlorophenyl)prop-2-enoate Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl (E)-3-(3-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(3-chlorophenyl)-2-propenoic acid 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl (E)-3-(3-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-chlorophenyl)acrylic acid 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C=CC2=CC(=CC=C2)Cl)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCOC(=O)/C=C/C2=CC(=CC=C2)Cl)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22ClN3O4S/c23-18-5-3-4-17(16-18)8-9-21(27)30-15-14-25-10-12-26(13-11-25)22-19-6-1-2-7-20(19)31(28,29)24-22/h1-9,16H,10-15H2/b9-8+