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

Systemtic Name: N-[6-cyano-8-[(3-methylimidazol-4-yl)-oxidanyl-methyl]-3,4-dihydro-2H-chromen-3-yl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[6-cyano-8-[hydroxy-(3-methylimidazol-4-yl)methyl]chroman-3-yl]methanesulfonamide CAS Name: N-[6-cyano-8-[hydroxy-(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-1-benzopyran-3-yl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[6-cyano-8-[hydroxy-(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-yl]methanesulfonamide Traditional Name: N-benzyl-N-[6-cyano-8-[hydroxy-(3-methylimidazol-4-yl)methyl]chroman-3-yl]methanesulfonamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC(=CC3=C2OCC(C3)N(CC4=CC=CC=C4)S(=O)(=O)C)C#N)O

Isomeric SMILES

CN1C=NC=C1C(C2=CC(=CC3=C2OCC(C3)N(CC4=CC=CC=C4)S(=O)(=O)C)C#N)O

InChI

InChI=1S/C23H24N4O4S/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/h3-9,12,15,19,22,28H,10,13-14H2,1-2H3