2-bromanyl-N-[3-[(2-fluorophenyl)-methyl-amino]propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-[3-[(2-fluorophenyl)-methyl-amino]propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[3-(2-fluoro-N-methyl-anilino)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[3-(2-fluoro-N-methylanilino)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[3-(2-fluoro-N-methylanilino)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[3-(2-fluoro-N-methyl-anilino)propyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H25BrFN3O3S MolecularWeight: 498.408903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br)C3=CC=CC=C3F

Isomeric SMILES

CN(CCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br)C3=CC=CC=C3F

InChI

InChI=1S/C21H25BrFN3O3S/c1-25(20-8-3-2-7-19(20)23)12-6-11-24-21(27)17-15-16(9-10-18(17)22)30(28,29)26-13-4-5-14-26/h2-3,7-10,15H,4-6,11-14H2,1H3,(H,24,27)