2-[8-[cyanomethyl-(phenylmethyl)sulfamoyl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-[8-[cyanomethyl-(phenylmethyl)sulfamoyl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-[8-[benzyl(cyanomethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine CAS Name: 2-[8-[cyanomethyl-(phenylmethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-[8-[benzyl(cyanomethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-[8-[benzyl(cyanomethyl)sulfamoyl]-3-hydroxy-2,2-dimethyl-chroman-4-yl]guanidine Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=CC=C2)S(=O)(=O)N(CC#N)CC3=CC=CC=C3)N=C(N)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC=C2)S(=O)(=O)N(CC#N)CC3=CC=CC=C3)N=C(N)N)O)C

InChI

InChI=1S/C21H25N5O4S/c1-21(2)19(27)17(25-20(23)24)15-9-6-10-16(18(15)30-21)31(28,29)26(12-11-22)13-14-7-4-3-5-8-14/h3-10,17,19,27H,12-13H2,1-2H3,(H4,23,24,25)