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

Systemtic Name: 2-bromanyl-N-(2-pyridin-3-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[2-(3-pyridyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[2-(3-pyridinyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(2-pyridin-3-ylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[2-(3-pyridyl)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCC3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C18H20BrN3O3S/c19-17-6-5-15(26(24,25)22-10-1-2-11-22)12-16(17)18(23)21-9-7-14-4-3-8-20-13-14/h3-6,8,12-13H,1-2,7,9-11H2,(H,21,23)