N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C20H17ClN4O3S2 MolecularWeight: 460.95698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17ClN4O3S2/c21-15-5-6-16-17(11-15)29-20(23-16)24-19(26)13-7-9-25(10-8-13)30(27,28)18-4-2-1-3-14(18)12-22/h1-6,11,13H,7-10H2,(H,23,24,26)