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

Systemtic Name: N-[6-cyano-8-(1H-imidazol-5-ylmethylamino)-3,4-dihydro-2H-chromen-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide Openeye Name: N-[6-cyano-8-(1H-imidazol-5-ylmethylamino)chroman-3-yl]-N-(3-thienylmethyl)methanesulfonamide CAS Name: N-[6-cyano-8-(1H-imidazol-5-ylmethylamino)-3,4-dihydro-2H-1-benzopyran-3-yl]-N-(3-thiophenylmethyl)methanesulfonamide IUPAC Name: N-[6-cyano-8-(1H-imidazol-5-ylmethylamino)-3,4-dihydro-2H-chromen-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide Traditional Name: N-[6-cyano-8-(1H-imidazol-5-ylmethylamino)chroman-3-yl]-N-(3-thenyl)methanesulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CSC=C1)C2CC3=C(C(=CC(=C3)C#N)NCC4=CN=CN4)OC2

Isomeric SMILES

CS(=O)(=O)N(CC1=CSC=C1)C2CC3=C(C(=CC(=C3)C#N)NCC4=CN=CN4)OC2

InChI

InChI=1S/C20H21N5O3S2/c1-30(26,27)25(10-14-2-3-29-12-14)18-6-16-4-15(7-21)5-19(20(16)28-11-18)23-9-17-8-22-13-24-17/h2-5,8,12-13,18,23H,6,9-11H2,1H3,(H,22,24)