N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(4-methoxyphenyl)methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-p-anisyl-benzamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25N3O4S/c1-22-10-12-23(13-11-22)28(25,26)19-5-3-4-17(14-19)20(24)21-15-16-6-8-18(27-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1