N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4-(propargylsulfamoyl)benzamide Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C22H25N3O4S/c1-2-11-24-30(27,28)21-9-7-18(8-10-21)22(26)23-16-19-5-3-4-6-20(19)17-25-12-14-29-15-13-25/h1,3-10,24H,11-17H2,(H,23,26)/p+1