2-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c22-14-17-4-1-2-6-20(17)29(26,27)23-11-7-16(8-12-23)21(25)24-10-3-5-19(24)18-9-13-28-15-18/h1-2,4,6,9,13,15-16,19H,3,5,7-8,10-12H2