2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-prop-2-enyl-propanamide

Systemtic Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide CAS Name: 2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]propionamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NCC=C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H23N3O4S2/c1-3-9-19-17(22)13(2)26-18-20-15-12-14(7-8-16(15)25-18)27(23,24)21-10-5-4-6-11-21/h3,7-8,12-13H,1,4-6,9-11H2,2H3,(H,19,22)