3-[(4-fluorophenyl)methylamino]-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-[(4-fluorophenyl)methylamino]-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-[(4-fluorophenyl)methylamino]-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-[(4-fluorophenyl)methylamino]-N-[3-(methylthio)phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-[(4-fluorophenyl)methylamino]-N-(3-methylsulfanylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-[(4-fluorobenzyl)amino]-N-[3-(methylthio)phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C25H26FN3O3S2 MolecularWeight: 499.620643

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O3S2/c1-33-23-6-4-5-21(15-23)28-25(30)19-13-22(27-17-18-7-9-20(26)10-8-18)16-24(14-19)34(31,32)29-11-2-3-12-29/h4-10,13-16,27H,2-3,11-12,17H2,1H3,(H,28,30)