N-(4-chloranyl-1,3-benzothiazol-7-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-7-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-7-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-7-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-7-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-7-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C17H16ClN3O3S3 MolecularWeight: 441.97524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C3C(=C(C=C2)Cl)N=CS3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C3C(=C(C=C2)Cl)N=CS3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16ClN3O3S3/c18-12-3-4-13(16-15(12)19-10-26-16)20-17(22)11-5-7-21(8-6-11)27(23,24)14-2-1-9-25-14/h1-4,9-11H,5-8H2,(H,20,22)