N-[(4-fluorophenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-fluorobenzyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H17FN2O3S2 MolecularWeight: 380.456883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN2O3S2/c1-11-8-17(21)20-15-9-14(6-7-16(15)24-11)25(22,23)19-10-12-2-4-13(18)5-3-12/h2-7,9,11,19H,8,10H2,1H3,(H,20,21)