3-(azepan-1-ylcarbonyl)-5-[(2-fluorophenyl)methyl]-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-5-[(2-fluorophenyl)methyl]-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(azepane-1-carbonyl)-5-[(2-fluorophenyl)methyl]-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[1-azepanyl(oxo)methyl]-5-[(2-fluorophenyl)methyl]-11,11-dioxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(azepane-1-carbonyl)-5-[(2-fluorophenyl)methyl]-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(azepane-1-carbonyl)-5-(2-fluorobenzyl)-11,11-diketo-benzo[b][1,4]benzothiazepin-6-one Formula: C27H25FN2O4S MolecularWeight: 492.561803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

InChI=1S/C27H25FN2O4S/c28-22-11-5-3-9-20(22)18-30-23-17-19(26(31)29-15-7-1-2-8-16-29)13-14-25(23)35(33,34)24-12-6-4-10-21(24)27(30)32/h3-6,9-14,17H,1-2,7-8,15-16,18H2