2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazino]propionamide Formula: C21H25FN4O4S MolecularWeight: 448.511003

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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=CC=C3F

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O4S/c1-16(20(27)24-21(28)23-15-17-7-3-2-4-8-17)25-11-13-26(14-12-25)31(29,30)19-10-6-5-9-18(19)22/h2-10,16H,11-15H2,1H3,(H2,23,24,27,28)