N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-nicotinamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H20BrN3O3S/c19-15-11-14(12-20-13-15)18(23)21-16-5-7-17(8-6-16)26(24,25)22-9-3-1-2-4-10-22/h5-8,11-13H,1-4,9-10H2,(H,21,23)