N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(4-propylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(4-propylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)-2-(4-propylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-2-(4-propyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(4-propylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-2-(4-propylpiperazin-1-ium-1-yl)acetamide Formula: C23H38N5O4S+ MolecularWeight: 480.64392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CCCN1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C23H37N5O4S/c1-2-7-25-10-12-26(13-11-25)19-23(29)24-21-18-20(5-6-22(21)27-8-3-4-9-27)33(30,31)28-14-16-32-17-15-28/h5-6,18H,2-4,7-17,19H2,1H3,(H,24,29)/p+1