4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-[(3-methyl-N-methylsulfonyl-anilino)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-[(N-mesyl-3-methyl-anilino)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-18-4-3-5-21(16-18)25(30(2,27)28)17-19-6-8-20(9-7-19)22(26)23-10-11-24-12-14-29-15-13-24/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+1