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

Systemtic Name: N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[[1-[(4-fluorophenyl)methyl]-4-piperidyl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[[1-[(4-fluorophenyl)methyl]-4-piperidinyl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[[1-(4-fluorobenzyl)-4-piperidyl]methyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C23H28FN3O3S2 MolecularWeight: 477.615123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN3O3S2/c1-16-12-23(28)26-21-13-20(6-7-22(21)31-16)32(29,30)25-14-17-8-10-27(11-9-17)15-18-2-4-19(24)5-3-18/h2-7,13,16-17,25H,8-12,14-15H2,1H3,(H,26,28)