2-[ethylsulfonyl-(6-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[ethylsulfonyl-(6-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-chroman-4-yl)amino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[esyl-(6-fluoro-2,2-dimethyl-chroman-4-yl)amino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C21H29FN4O4S MolecularWeight: 452.542763

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2CC(OC3=C2C=C(C=C3)F)(C)C

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2CC(OC3=C2C=C(C=C3)F)(C)C

InChI

InChI=1S/C21H29FN4O4S/c1-4-31(28,29)26(14-20(27)24-8-5-10-25-11-9-23-15-25)18-13-21(2,3)30-19-7-6-16(22)12-17(18)19/h6-7,9,11-12,15,18H,4-5,8,10,13-14H2,1-3H3,(H,24,27)