[4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium

Systemtic Name: [4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]azanium Openeye Name: [1-benzyl-2-hydroxy-3-[isobutyl(p-tolylsulfonyl)amino]propyl]ammonium CAS Name: [3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]ammonium IUPAC Name: [3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]azanium Traditional Name: [1-benzyl-2-hydroxy-3-[isobutyl(tosyl)amino]propyl]ammonium Formula: C21H31N2O3S+ MolecularWeight: 391.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(C(CC2=CC=CC=C2)[NH3+])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(C(CC2=CC=CC=C2)[NH3+])O

InChI

InChI=1S/C21H30N2O3S/c1-16(2)14-23(27(25,26)19-11-9-17(3)10-12-19)15-21(24)20(22)13-18-7-5-4-6-8-18/h4-12,16,20-21,24H,13-15,22H2,1-3H3/p+1