N-[2-methoxy-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]ethanamide

Systemtic Name: N-[2-methoxy-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]ethanamide Openeye Name: N-[2-methoxy-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide CAS Name: N-[2-methoxy-5-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide IUPAC Name: N-[2-methoxy-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide Traditional Name: N-[2-methoxy-5-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]sulfamoyl]phenyl]acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC

InChI

InChI=1S/C22H29N3O4S/c1-17(26)24-21-14-20(10-11-22(21)29-2)30(27,28)23-15-18-6-8-19(9-7-18)16-25-12-4-3-5-13-25/h6-11,14,23H,3-5,12-13,15-16H2,1-2H3,(H,24,26)/p+1