1-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-[(2-morpholinosulfonylphenyl)methyl]urea CAS Name: 1-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-3-[[2-(4-morpholinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea Traditional Name: 1-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-3-(2-morpholinosulfonylbenzyl)urea Formula: C23H39N4O5S+ MolecularWeight: 483.64456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)NCC1=CC=CC=C1S(=O)(=O)N2CCOCC2)[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)NCC1=CC=CC=C1S(=O)(=O)N2CCOCC2)[NH+]3CCOCC3

InChI

InChI=1S/C23H38N4O5S/c1-3-19(4-2)21(26-9-13-31-14-10-26)18-25-23(28)24-17-20-7-5-6-8-22(20)33(29,30)27-11-15-32-16-12-27/h5-8,19,21H,3-4,9-18H2,1-2H3,(H2,24,25,28)/p+1/t21-/m0/s1