N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H15ClN4O4S2 MolecularWeight: 450.9191

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C18H15ClN4O4S2/c19-12-4-5-14-15(9-12)28-18(21-14)22-17(25)11-2-1-3-13(8-11)29(26,27)23-7-6-20-16(24)10-23/h1-5,8-9H,6-7,10H2,(H,20,24)(H,21,22,25)