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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN3O3S2/c21-16-6-7-17-18(12-16)28-20(22-17)23-19(25)15-8-10-24(11-9-15)29(26,27)13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,23,25)