N-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-furfuryl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C22H21N3O4S3 MolecularWeight: 487.61484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2=CC=CO2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CC=CO2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N3O4S3/c26-21(18-9-3-4-12-25(18)32(27,28)20-11-6-14-30-20)24(15-16-7-5-13-29-16)22-23-17-8-1-2-10-19(17)31-22/h1-2,5-8,10-11,13-14,18H,3-4,9,12,15H2