(2R)-N-(4-cyanophenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]propionamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22N4O4S2/c1-15(21(27)24-17-7-5-16(14-23)6-8-17)31-22-25-19-13-18(9-10-20(19)30-22)32(28,29)26-11-3-2-4-12-26/h5-10,13,15H,2-4,11-12H2,1H3,(H,24,27)/t15-/m1/s1