4-[4-[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(2S)-1-(2-thenoyl)prolyl]piperazino]sulfonylbenzonitrile Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H22N4O4S2/c22-15-16-5-7-17(8-6-16)31(28,29)24-12-10-23(11-13-24)20(26)18-3-1-9-25(18)21(27)19-4-2-14-30-19/h2,4-8,14,18H,1,3,9-13H2/t18-/m0/s1