N-[6-cyano-8-(1H-imidazol-5-ylamino)-3,4-dihydro-2H-chromen-3-yl]-N-(phenylmethyl)methanesulfonamide

Systemtic Name: N-[6-cyano-8-(1H-imidazol-5-ylamino)-3,4-dihydro-2H-chromen-3-yl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[6-cyano-8-(1H-imidazol-5-ylamino)chroman-3-yl]methanesulfonamide CAS Name: N-[6-cyano-8-(1H-imidazol-5-ylamino)-3,4-dihydro-2H-1-benzopyran-3-yl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[6-cyano-8-(1H-imidazol-5-ylamino)-3,4-dihydro-2H-chromen-3-yl]methanesulfonamide Traditional Name: N-benzyl-N-[6-cyano-8-(1H-imidazol-5-ylamino)chroman-3-yl]methanesulfonamide Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=CC=C1)C2CC3=C(C(=CC(=C3)C#N)NC4=CN=CN4)OC2

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=CC=C1)C2CC3=C(C(=CC(=C3)C#N)NC4=CN=CN4)OC2

InChI

InChI=1S/C21H21N5O3S/c1-30(27,28)26(12-15-5-3-2-4-6-15)18-9-17-7-16(10-22)8-19(21(17)29-13-18)25-20-11-23-14-24-20/h2-8,11,14,18,25H,9,12-13H2,1H3,(H,23,24)