N-benzo[e][1,3]benzothiazol-2-yl-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(5-chloranylthiophen-2-yl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-[(5-chloro-2-thienyl)sulfonyl]pipecolinamide Formula: C21H18ClN3O3S3 MolecularWeight: 492.03392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)C5=CC=C(S5)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)S(=O)(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C21H18ClN3O3S3/c22-17-10-11-18(30-17)31(27,28)25-12-4-3-7-15(25)20(26)24-21-23-19-14-6-2-1-5-13(14)8-9-16(19)29-21/h1-2,5-6,8-11,15H,3-4,7,12H2,(H,23,24,26)