7-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22FN3O4S2/c22-16-3-5-17(6-4-16)31(28,29)25-10-1-9-24(11-12-25)21(27)15-2-7-19-18(14-15)23-20(26)8-13-30-19/h2-7,14H,1,8-13H2,(H,23,26)