N-(3-aminocarbonylphenyl)-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-aminocarbonylphenyl)-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(3-carbamoylphenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-(3-carbamoylphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(3-carbamoylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(3-carbamoylphenyl)-5-pyrrolidinosulfonyl-benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C18H18BrN3O4S/c19-16-7-6-14(27(25,26)22-8-1-2-9-22)11-15(16)18(24)21-13-5-3-4-12(10-13)17(20)23/h3-7,10-11H,1-2,8-9H2,(H2,20,23)(H,21,24)