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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

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