1-cyano-3-[2-(dimethoxymethyl)-2-methyl-6-(methylsulfonylamino)-3-oxidanyl-3,4-dihydrochromen-5-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-cyano-3-[2-(dimethoxymethyl)-2-methyl-6-(methylsulfonylamino)-3-oxidanyl-3,4-dihydrochromen-5-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-6-(methanesulfonamido)-2-methyl-chroman-5-yl]guanidine CAS Name: 1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-6-(methanesulfonamido)-2-methyl-3,4-dihydro-2H-1-benzopyran-5-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-6-(methanesulfonamido)-2-methyl-3,4-dihydrochromen-5-yl]guanidine Traditional Name: 2-benzyl-1-cyano-3-[2-(dimethoxymethyl)-3-hydroxy-6-(methanesulfonamido)-2-methyl-chroman-5-yl]guanidine Formula: C23H29N5O6S MolecularWeight: 503.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=C(O1)C=CC(=C2NC(=NCC3=CC=CC=C3)NC#N)NS(=O)(=O)C)O)C(OC)OC

Isomeric SMILES

CC1(C(CC2=C(O1)C=CC(=C2NC(=NCC3=CC=CC=C3)NC#N)NS(=O)(=O)C)O)C(OC)OC

InChI

InChI=1S/C23H29N5O6S/c1-23(21(32-2)33-3)19(29)12-16-18(34-23)11-10-17(28-35(4,30)31)20(16)27-22(26-14-24)25-13-15-8-6-5-7-9-15/h5-11,19,21,28-29H,12-13H2,1-4H3,(H2,25,26,27)