(3R)-1-(4-fluorophenyl)carbonyl-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]azepan-2-one

Systemtic Name: (3R)-1-(4-fluorophenyl)carbonyl-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]azepan-2-one Openeye Name: (3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-fluorobenzoyl)azepan-2-one CAS Name: (3R)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: (3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: (3R)-3-(4-besylpiperazin-1-ium-1-yl)-1-(4-fluorobenzoyl)azepan-2-one Formula: C23H27FN3O4S+ MolecularWeight: 460.541583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)[C@@H](C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O4S/c24-19-11-9-18(10-12-19)22(28)27-13-5-4-8-21(23(27)29)25-14-16-26(17-15-25)32(30,31)20-6-2-1-3-7-20/h1-3,6-7,9-12,21H,4-5,8,13-17H2/p+1/t21-/m1/s1