N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(4-morpholinylsulfonyl)-1,3-benzoxazol-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5-morpholinosulfonyl-1,3-benzoxazol-2-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O7S2/c25-20(22-11-14-1-3-18-19(9-14)30-13-29-18)12-32-21-23-16-10-15(2-4-17(16)31-21)33(26,27)24-5-7-28-8-6-24/h1-4,9-10H,5-8,11-13H2,(H,22,25)