3-[(2-bromophenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(2-bromophenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[(2-bromophenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(2-bromophenyl)sulfonylamino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(2-bromophenyl)sulfonylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(2-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H28BrN3O3S/c23-20-6-2-3-7-21(20)30(28,29)25-13-12-22(27)24-16-18-8-10-19(11-9-18)17-26-14-4-1-5-15-26/h2-3,6-11,25H,1,4-5,12-17H2,(H,24,27)/p+1