2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C24H24N4O3S2 MolecularWeight: 480.60236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4O3S2/c25-16-18-6-1-4-10-22(18)33(30,31)27-14-11-17(12-15-27)24(29)28-13-5-8-20(28)23-26-19-7-2-3-9-21(19)32-23/h1-4,6-7,9-10,17,20H,5,8,11-15H2/t20-/m0/s1