N-[(2S)-6-methylheptan-2-yl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O4S2/c1-16(2)8-7-9-17(3)23-21(26)15-30-22-24-19-14-18(10-11-20(19)29-22)31(27,28)25-12-5-4-6-13-25/h10-11,14,16-17H,4-9,12-13,15H2,1-3H3,(H,23,26)/t17-/m0/s1