(3S)-1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-[4-(4-fluorophenyl)sulfonylpiperazino]-4-keto-butanoyl]nipecotate Formula: C20H25FN3O6S- MolecularWeight: 454.492403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C20H26FN3O6S/c21-16-3-5-17(6-4-16)31(29,30)24-12-10-22(11-13-24)18(25)7-8-19(26)23-9-1-2-15(14-23)20(27)28/h3-6,15H,1-2,7-14H2,(H,27,28)/p-1/t15-/m0/s1