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

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]propionamide Formula: C21H24ClFN4O4S MolecularWeight: 482.956063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN4O4S/c1-15(20(28)25-21(29)24-14-16-5-3-2-4-6-16)26-9-11-27(12-10-26)32(30,31)17-7-8-19(23)18(22)13-17/h2-8,13,15H,9-12,14H2,1H3,(H2,24,25,28,29)