(3-methoxyphenyl)methyl-[[3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl]azanium

Systemtic Name: (3-methoxyphenyl)methyl-[[3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl]azanium Openeye Name: [3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: [3-(methanesulfonamido)-5-[oxo(1-piperidinyl)methyl]phenyl]methyl-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: [3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: m-anisyl-[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)benzyl]ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCCCC3)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)C[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCCCC3)NS(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-29-21-8-6-7-17(13-21)15-23-16-18-11-19(14-20(12-18)24-30(2,27)28)22(26)25-9-4-3-5-10-25/h6-8,11-14,23-24H,3-5,9-10,15-16H2,1-2H3/p+1