N-(5-chloranyl-1,3-benzothiazol-2-yl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(5-chloranyl-1,3-benzothiazol-2-yl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(5-chloro-1,3-benzothiazol-2-yl)-1-(8-quinolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(5-chloro-1,3-benzothiazol-2-yl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(5-chloro-1,3-benzothiazol-2-yl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(5-chloro-1,3-benzothiazol-2-yl)-1-(8-quinolylsulfonyl)nipecotamide Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C22H19ClN4O3S2/c23-16-8-9-18-17(12-16)25-22(31-18)26-21(28)15-6-3-11-27(13-15)32(29,30)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,26,28)