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

Systemtic Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide CAS Name: N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide IUPAC Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3-(4-sulfamoylphenyl)propionamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H29N3O3S/c23-29(27,28)21-11-8-18(9-12-21)10-13-22(26)24-16-19-6-2-3-7-20(19)17-25-14-4-1-5-15-25/h2-3,6-9,11-12H,1,4-5,10,13-17H2,(H,24,26)(H2,23,27,28)/p+1