N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(N-methylsulfonyl-4-phenoxy-anilino)acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide Traditional Name: 2-(N-mesyl-4-phenoxy-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C21H27N4O4S+ MolecularWeight: 431.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C)CC1

InChI

InChI=1S/C21H26N4O4S/c1-24-14-12-17(13-15-24)22-23-21(26)16-25(30(2,27)28)18-8-10-20(11-9-18)29-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3,(H,23,26)/p+1