1-[(3S)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(3S)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(3S)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[(3S)-3-[3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(3S)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(3S)-3-[3-(4-pyrrolidinosulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidino]-2-(2-thienyl)ethanone Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C4CCCN(C4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)[C@H]4CCCN(C4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C23H26N4O4S2/c28-21(15-19-6-4-14-32-19)26-11-3-5-18(16-26)23-24-22(25-31-23)17-7-9-20(10-8-17)33(29,30)27-12-1-2-13-27/h4,6-10,14,18H,1-3,5,11-13,15-16H2/t18-/m0/s1