dibutyl-[(2R)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: dibutyl-[(2R)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-[N-(benzenesulfonyl)-4-methyl-anilino]-2-hydroxy-propyl]-dibutyl-ammonium CAS Name: [(2R)-3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]-dibutylammonium IUPAC Name: [(2R)-3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]-dibutylazanium Traditional Name: [(2R)-3-(N-besyl-4-methyl-anilino)-2-hydroxy-propyl]-dibutyl-ammonium Formula: C24H37N2O3S+ MolecularWeight: 433.62718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O3S/c1-4-6-17-25(18-7-5-2)19-23(27)20-26(22-15-13-21(3)14-16-22)30(28,29)24-11-9-8-10-12-24/h8-16,23,27H,4-7,17-20H2,1-3H3/p+1/t23-/m1/s1