5-(phenylsulfonyl)-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: 5-(phenylsulfonyl)-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: 5-(benzenesulfonyl)-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: 5-(benzenesulfonyl)-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: 5-(benzenesulfonyl)-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: 5-besyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C26H23N3O5S2/c30-24(20-12-13-22(34-20)36(32,33)18-8-2-1-3-9-18)29-26-23(19-10-4-5-11-21(19)35-26)25(31)28-16-17-7-6-14-27-15-17/h1-3,6-9,12-15H,4-5,10-11,16H2,(H,28,31)(H,29,30)