N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-24(2)20(17-6-5-7-18(22)14-17)15-23-21(26)16-8-10-19(11-9-16)29(27,28)25-12-3-4-13-25/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,23,26)/t20-/m1/s1