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

Systemtic Name: [3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl-[(3-phenoxyphenyl)methyl]azanium Openeye Name: [3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]ammonium CAS Name: [3-(methanesulfonamido)-5-[oxo(1-piperidinyl)methyl]phenyl]methyl-[(3-phenoxyphenyl)methyl]ammonium IUPAC Name: [3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]azanium Traditional Name: [3-(methanesulfonamido)-5-(piperidine-1-carbonyl)benzyl]-(3-phenoxybenzyl)ammonium Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H31N3O4S/c1-35(32,33)29-24-16-22(15-23(18-24)27(31)30-13-6-3-7-14-30)20-28-19-21-9-8-12-26(17-21)34-25-10-4-2-5-11-25/h2,4-5,8-12,15-18,28-29H,3,6-7,13-14,19-20H2,1H3/p+1