3-[(4-methylphenyl)sulfonylamino]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(p-tolylsulfonylamino)benzamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-(tosylamino)benzamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C26H29N3O4S/c1-20-9-11-25(12-10-20)34(31,32)28-24-8-4-7-21(17-24)26(30)27-18-22-5-2-3-6-23(22)19-29-13-15-33-16-14-29/h2-12,17,28H,13-16,18-19H2,1H3,(H,27,30)/p+1