N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H21N3O3S3/c25-20(15-9-11-24(12-10-15)30(26,27)18-6-3-13-28-18)23-21-22-19-16-5-2-1-4-14(16)7-8-17(19)29-21/h1-6,13,15H,7-12H2,(H,22,23,25)