N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-(5-bromo-2-fluoro-benzylidene)amino]-3-pyrrolidinosulfonyl-benzamide Formula: C18H17BrFN3O3S MolecularWeight: 454.313283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H17BrFN3O3S/c19-15-6-7-17(20)14(10-15)12-21-22-18(24)13-4-3-5-16(11-13)27(25,26)23-8-1-2-9-23/h3-7,10-12H,1-2,8-9H2,(H,22,24)/b21-12+