N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-(3-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H29FN4O3S MolecularWeight: 448.554063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CN(C)[C@@H](CC1=CC=CC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C22H29FN4O3S/c1-25(2)20(15-18-7-4-3-5-8-18)17-24-22(28)26-11-13-27(14-12-26)31(29,30)21-10-6-9-19(23)16-21/h3-10,16,20H,11-15,17H2,1-2H3,(H,24,28)/t20-/m0/s1