4-[[6-chloranyl-1,1,3-tris(oxidanylidene)-4-(phenylmethyl)-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-chloranyl-1,1,3-tris(oxidanylidene)-4-(phenylmethyl)-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzyl-6-chloro-1,1,3-trioxo-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-2-yl)methyl]benzonitrile CAS Name: 4-[[6-chloro-1,1,3-trioxo-4-(phenylmethyl)-8-(1-piperazinyl)-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzonitrile IUPAC Name: 4-[(4-benzyl-6-chloro-1,1,3-trioxo-8-piperazin-1-yl-1$l^{6},2,4-benzothiadiazin-2-yl)methyl]benzonitrile Traditional Name: 4-[(4-benzyl-6-chloro-1,1,3-triketo-8-piperazino-1$l^{6},2,4-benzothiadiazin-2-yl)methyl]benzonitrile Formula: C26H24ClN5O3S MolecularWeight: 522.01846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C(=CC(=C2)Cl)N(C(=O)N(S3(=O)=O)CC4=CC=C(C=C4)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=C3C(=CC(=C2)Cl)N(C(=O)N(S3(=O)=O)CC4=CC=C(C=C4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C26H24ClN5O3S/c27-22-14-23(30-12-10-29-11-13-30)25-24(15-22)31(17-20-4-2-1-3-5-20)26(33)32(36(25,34)35)18-21-8-6-19(16-28)7-9-21/h1-9,14-15,29H,10-13,17-18H2