N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-(1-piperidylsulfonyl)thiophene-2-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-3-(1-piperidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-piperidinosulfonyl-thiophene-2-carboxamide Formula: C22H21N3O4S3 MolecularWeight: 487.61484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O4S3/c26-21(20-19(10-13-30-20)32(27,28)25-11-4-1-5-12-25)23-14-15-8-9-17(29-15)22-24-16-6-2-3-7-18(16)31-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,23,26)