N-(3-chloranyl-4-propan-2-yloxy-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-propan-2-yloxy-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-isopropoxy-phenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-isopropoxy-phenyl)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H24ClFN2O4S MolecularWeight: 454.942663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O4S/c1-14(2)29-20-8-5-17(13-19(20)22)24-21(26)15-9-11-25(12-10-15)30(27,28)18-6-3-16(23)4-7-18/h3-8,13-15H,9-12H2,1-2H3,(H,24,26)