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

Systemtic Name: N-[6-cyano-3-[methylsulfonyl-(phenylmethyl)amino]-3,4-dihydro-2H-chromen-8-yl]-N-(1H-imidazol-5-yl)ethanamide Openeye Name: N-[3-[benzyl(methylsulfonyl)amino]-6-cyano-chroman-8-yl]-N-(1H-imidazol-5-yl)acetamide CAS Name: N-[6-cyano-3-[methylsulfonyl-(phenylmethyl)amino]-3,4-dihydro-2H-1-benzopyran-8-yl]-N-(1H-imidazol-5-yl)acetamide IUPAC Name: N-[3-[benzyl(methylsulfonyl)amino]-6-cyano-3,4-dihydro-2H-chromen-8-yl]-N-(1H-imidazol-5-yl)acetamide Traditional Name: N-[3-[benzyl(mesyl)amino]-6-cyano-chroman-8-yl]-N-(1H-imidazol-5-yl)acetamide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=CC2=C1OCC(C2)N(CC3=CC=CC=C3)S(=O)(=O)C)C#N)C4=CN=CN4

Isomeric SMILES

CC(=O)N(C1=CC(=CC2=C1OCC(C2)N(CC3=CC=CC=C3)S(=O)(=O)C)C#N)C4=CN=CN4

InChI

InChI=1S/C23H23N5O4S/c1-16(29)28(22-12-25-15-26-22)21-9-18(11-24)8-19-10-20(14-32-23(19)21)27(33(2,30)31)13-17-6-4-3-5-7-17/h3-9,12,15,20H,10,13-14H2,1-2H3,(H,25,26)