2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(4-bromophenyl)sulfonylamino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(brosylamino)piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C19H23BrN3O3S+ MolecularWeight: 453.37322

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H22BrN3O3S/c20-15-6-8-18(9-7-15)27(25,26)22-17-10-12-23(13-11-17)14-19(24)21-16-4-2-1-3-5-16/h1-9,17,22H,10-14H2,(H,21,24)/p+1