2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]benzonitrile Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C20H19N3O3S2/c21-13-15-6-2-3-7-16(15)14-27-20-22-18-12-17(8-9-19(18)26-20)28(24,25)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,14H2