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

Systemtic Name: 2-bromanyl-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(3-pyridylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-(3-pyridinylmethyl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(pyridin-3-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(3-pyridylmethyl)-5-pyrrolidinosulfonyl-benzamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H18BrN3O3S/c18-16-6-5-14(25(23,24)21-8-1-2-9-21)10-15(16)17(22)20-12-13-4-3-7-19-11-13/h3-7,10-11H,1-2,8-9,12H2,(H,20,22)