2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-N-(1-phenylethyl)propionamide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN3O3S/c1-15(17-6-4-3-5-7-17)24-21(27)16(2)25-10-12-26(13-11-25)30(28,29)18-8-9-20(23)19(22)14-18/h3-9,14-16H,10-13H2,1-2H3,(H,24,27)