2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C22H28ClN4O4S+ MolecularWeight: 480.00012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H27ClN4O4S/c23-20-3-1-2-4-21(20)26-11-9-25(10-12-26)17-22(28)24-18-5-7-19(8-6-18)32(29,30)27-13-15-31-16-14-27/h1-8H,9-17H2,(H,24,28)/p+1