N-[4-(6-chloranyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(6-chloranyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C23H20ClN3O3S3 MolecularWeight: 518.0712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)Cl)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)Cl)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C23H20ClN3O3S3/c24-17-5-8-19-20(14-17)32-23(26-19)16-3-6-18(7-4-16)25-22(28)15-9-11-27(12-10-15)33(29,30)21-2-1-13-31-21/h1-8,13-15H,9-12H2,(H,25,28)