methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: methyl-[(2-morpholinophenyl)methyl]-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: methyl-[[2-(4-morpholinyl)phenyl]methyl]-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-piperidinosulfonylanilino)ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H34N4O4S/c1-27(19-21-7-3-4-8-24(21)28-15-17-33-18-16-28)20-25(30)26-22-9-11-23(12-10-22)34(31,32)29-13-5-2-6-14-29/h3-4,7-12H,2,5-6,13-20H2,1H3,(H,26,30)/p+1