N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chloranylpyridin-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chloranylpyridin-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotamide Formula: C20H21ClN4O3S2 MolecularWeight: 464.98874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C20H21ClN4O3S2/c21-19-17(6-3-10-22-19)30(27,28)25-12-8-14(9-13-25)20(26)23-11-7-18-24-15-4-1-2-5-16(15)29-18/h1-6,10,14H,7-9,11-13H2,(H,23,26)