N-(3-acetamido-4-fluoranyl-phenyl)-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-3-piperidin-1-ylsulfonyl-thiophene-2-carboxamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-3-(1-piperidylsulfonyl)thiophene-2-carboxamide CAS Name: N-(3-acetamido-4-fluorophenyl)-3-(1-piperidinylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-3-piperidinosulfonyl-thiophene-2-carboxamide Formula: C18H20FN3O4S2 MolecularWeight: 425.497503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3)F

InChI

InChI=1S/C18H20FN3O4S2/c1-12(23)20-15-11-13(5-6-14(15)19)21-18(24)17-16(7-10-27-17)28(25,26)22-8-3-2-4-9-22/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)(H,21,24)