[1-(phenylmethyl)sulfonylpiperidin-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)sulfonylpiperidin-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Openeye Name: (1-benzylsulfonyl-4-piperidyl)-[2-(3-thienyl)pyrrolidin-1-yl]methanone CAS Name: [1-(phenylmethyl)sulfonyl-4-piperidinyl]-[2-(3-thiophenyl)-1-pyrrolidinyl]methanone IUPAC Name: (1-benzylsulfonylpiperidin-4-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Traditional Name: (1-benzylsulfonyl-4-piperidyl)-[2-(3-thienyl)pyrrolidino]methanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C21H26N2O3S2/c24-21(23-11-4-7-20(23)19-10-14-27-15-19)18-8-12-22(13-9-18)28(25,26)16-17-5-2-1-3-6-17/h1-3,5-6,10,14-15,18,20H,4,7-9,11-13,16H2