dicyclohexyl-[(2S)-2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]azanium

Systemtic Name: dicyclohexyl-[(2S)-2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]azanium Openeye Name: [(2S)-3-[N-(benzenesulfonyl)anilino]-2-hydroxy-propyl]-dicyclohexyl-ammonium CAS Name: [(2S)-3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dicyclohexylammonium IUPAC Name: [(2S)-3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dicyclohexylazanium Traditional Name: [(2S)-3-(N-besylanilino)-2-hydroxy-propyl]-dicyclohexyl-ammonium Formula: C27H39N2O3S+ MolecularWeight: 471.67516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@@H](CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)C4CCCCC4

InChI

InChI=1S/C27H38N2O3S/c30-26(21-28(23-13-5-1-6-14-23)24-15-7-2-8-16-24)22-29(25-17-9-3-10-18-25)33(31,32)27-19-11-4-12-20-27/h3-4,9-12,17-20,23-24,26,30H,1-2,5-8,13-16,21-22H2/p+1/t26-/m0/s1