(4-methoxyphenyl)-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfonyl-azanide

Systemtic Name: (4-methoxyphenyl)-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfonyl-azanide Openeye Name: [4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(4-methoxyphenyl)azanide CAS Name: (4-methoxyphenyl)-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]sulfonylazanide IUPAC Name: [4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(4-methoxyphenyl)azanide Traditional Name: [4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]sulfonyl-(4-methoxyphenyl)azanide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N3O4S/c1-32-23-11-9-22(10-12-23)26-33(30,31)24-13-7-21(8-14-24)25(29)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3/q-1/p+1