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

Systemtic Name: 7-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(4-fluorophenyl)piperazino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H20FN3O3S2 MolecularWeight: 421.508803

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F)NC1=O

InChI

InChI=1S/C19H20FN3O3S2/c20-14-1-3-15(4-2-14)22-8-10-23(11-9-22)28(25,26)16-5-6-18-17(13-16)21-19(24)7-12-27-18/h1-6,13H,7-12H2,(H,21,24)