2-(1H-imidazol-5-ylmethyl)-5-(morpholin-4-ylsulfonylmethyl)-4-oxidanylidene-6-phenyl-hexanal

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-5-(morpholin-4-ylsulfonylmethyl)-4-oxidanylidene-6-phenyl-hexanal Openeye Name: 5-benzyl-2-(1H-imidazol-5-ylmethyl)-6-morpholinosulfonyl-4-oxo-hexanal CAS Name: 2-(1H-imidazol-5-ylmethyl)-5-(4-morpholinylsulfonylmethyl)-4-oxo-6-phenylhexanal IUPAC Name: 5-benzyl-2-(1H-imidazol-5-ylmethyl)-6-morpholin-4-ylsulfonyl-4-oxohexanal Traditional Name: 5-benzyl-2-(1H-imidazol-5-ylmethyl)-4-keto-6-morpholinosulfonyl-hexanal Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)CC(CC3=CN=CN3)C=O

Isomeric SMILES

C1COCCN1S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)CC(CC3=CN=CN3)C=O

InChI

InChI=1S/C21H27N3O5S/c25-14-18(11-20-13-22-16-23-20)12-21(26)19(10-17-4-2-1-3-5-17)15-30(27,28)24-6-8-29-9-7-24/h1-5,13-14,16,18-19H,6-12,15H2,(H,22,23)