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

Systemtic Name: N-[6-cyano-8-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]-N-(phenylmethyl)methanesulfonamide Openeye Name: N-benzyl-N-[6-cyano-8-[(3-methylimidazol-4-yl)methylamino]chroman-3-yl]methanesulfonamide CAS Name: N-[6-cyano-8-[(3-methyl-4-imidazolyl)methylamino]-3,4-dihydro-2H-1-benzopyran-3-yl]-N-(phenylmethyl)methanesulfonamide IUPAC Name: N-benzyl-N-[6-cyano-8-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-2H-chromen-3-yl]methanesulfonamide Traditional Name: N-benzyl-N-[6-cyano-8-[(3-methylimidazol-4-yl)methylamino]chroman-3-yl]methanesulfonamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CNC2=CC(=CC3=C2OCC(C3)N(CC4=CC=CC=C4)S(=O)(=O)C)C#N

Isomeric SMILES

CN1C=NC=C1CNC2=CC(=CC3=C2OCC(C3)N(CC4=CC=CC=C4)S(=O)(=O)C)C#N

InChI

InChI=1S/C23H25N5O3S/c1-27-16-25-12-21(27)13-26-22-9-18(11-24)8-19-10-20(15-31-23(19)22)28(32(2,29)30)14-17-6-4-3-5-7-17/h3-9,12,16,20,26H,10,13-15H2,1-2H3