N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-1-esyl-isonipecotamide Formula: C18H26ClN3O3S MolecularWeight: 399.93534

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3

InChI

InChI=1S/C18H26ClN3O3S/c1-2-26(24,25)22-11-7-14(8-12-22)18(23)20-16-13-15(19)5-6-17(16)21-9-3-4-10-21/h5-6,13-14H,2-4,7-12H2,1H3,(H,20,23)