N-(3-cyanophenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide CAS Name: N-(3-cyanophenyl)-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H20N4O4S2/c22-13-15-5-4-6-16(11-15)23-20(26)14-30-21-24-18-12-17(7-8-19(18)29-21)31(27,28)25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10,14H2,(H,23,26)