[(2R)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium

Systemtic Name: [(2R)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium Openeye Name: [(2R)-2-hydroxy-3-[N-(p-tolylsulfonyl)anilino]propyl]-dipropyl-ammonium CAS Name: [(2R)-2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]-dipropylammonium IUPAC Name: [(2R)-2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]-dipropylazanium Traditional Name: [(2R)-2-hydroxy-3-(N-tosylanilino)propyl]-dipropyl-ammonium Formula: C22H33N2O3S+ MolecularWeight: 405.57402

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCC[NH+](CCC)C[C@H](CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C22H32N2O3S/c1-4-15-23(16-5-2)17-21(25)18-24(20-9-7-6-8-10-20)28(26,27)22-13-11-19(3)12-14-22/h6-14,21,25H,4-5,15-18H2,1-3H3/p+1/t21-/m1/s1