N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-1-(4-fluorobenzoyl)isonipecotamide Formula: C23H25ClFN3O4S MolecularWeight: 493.978703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C23H25ClFN3O4S/c24-20-8-7-19(15-21(20)33(31,32)28-11-1-2-12-28)26-22(29)16-9-13-27(14-10-16)23(30)17-3-5-18(25)6-4-17/h3-8,15-16H,1-2,9-14H2,(H,26,29)