2-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]benzyl]sulfonylacetonitrile Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)CS(=O)(=O)CC#N

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)CS(=O)(=O)CC#N

InChI

InChI=1S/C22H21N3O4S/c23-11-14-30(27,28)15-16-5-7-18(8-6-16)22(26)25-12-9-17(10-13-25)21-24-19-3-1-2-4-20(19)29-21/h1-8,17H,9-10,12-15H2