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

Systemtic Name: (3S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C19H17ClFN3O3S2 MolecularWeight: 453.937983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H17ClFN3O3S2/c20-13-3-8-16-17(10-13)28-19(22-16)23-18(25)12-2-1-9-24(11-12)29(26,27)15-6-4-14(21)5-7-15/h3-8,10,12H,1-2,9,11H2,(H,22,23,25)/t12-/m0/s1