N-[6-cyano-8-(3-methylimidazol-4-yl)carbonyl-3,4-dihydro-2H-chromen-3-yl]-N-(phenylmethyl)methanesulfonamide

Systemtic Name: N-[6-cyano-8-(3-methylimidazol-4-yl)carbonyl-3,4-dihydro-2H-chromen-3-yl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[6-cyano-8-(3-methylimidazole-4-carbonyl)chroman-3-yl]methanesulfonamide CAS Name: N-[6-cyano-8-[(3-methyl-4-imidazolyl)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-3-yl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[6-cyano-8-(3-methylimidazole-4-carbonyl)-3,4-dihydro-2H-chromen-3-yl]methanesulfonamide Traditional Name: N-benzyl-N-[6-cyano-8-(3-methylimidazole-4-carbonyl)chroman-3-yl]methanesulfonamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(=O)C2=C3C(=CC(=C2)C#N)CC(CO3)N(CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=NC=C1C(=O)C2=C3C(=CC(=C2)C#N)CC(CO3)N(CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C23H22N4O4S/c1-26-15-25-12-21(26)22(28)20-9-17(11-24)8-18-10-19(14-31-23(18)20)27(32(2,29)30)13-16-6-4-3-5-7-16/h3-9,12,15,19H,10,13-14H2,1-2H3