4-[4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzamide Openeye Name: 4-[[4-[(2R)-2-(2-thienyl)pyrrolidine-1-carbonyl]-1-piperidyl]sulfonyl]benzamide CAS Name: 4-[[4-[oxo-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-[4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-[(2R)-2-(2-thienyl)pyrrolidine-1-carbonyl]piperidino]sulfonylbenzamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c22-20(25)15-5-7-17(8-6-15)30(27,28)23-12-9-16(10-13-23)21(26)24-11-1-3-18(24)19-4-2-14-29-19/h2,4-8,14,16,18H,1,3,9-13H2,(H2,22,25)/t18-/m1/s1