N-[2-(dimethylamino)-3-methyl-butyl]-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-3-methyl-butyl]-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-3-methyl-butyl]-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-3-methyl-butyl]-4-(2-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C18H29FN4O3S MolecularWeight: 400.511263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)N(C)C

Isomeric SMILES

CC(C)C(CNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2F)N(C)C

InChI

InChI=1S/C18H29FN4O3S/c1-14(2)16(21(3)4)13-20-18(24)22-9-11-23(12-10-22)27(25,26)17-8-6-5-7-15(17)19/h5-8,14,16H,9-13H2,1-4H3,(H,20,24)