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

Systemtic Name: 1-adamantyl-[(2R)-3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: 1-adamantyl-[(2R)-3-[N-(benzenesulfonyl)-4-methyl-anilino]-2-hydroxy-propyl]ammonium CAS Name: 1-adamantyl-[(2R)-3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]ammonium IUPAC Name: 1-adamantyl-[(2R)-3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]azanium Traditional Name: 1-adamantyl-[(2R)-3-(N-besyl-4-methyl-anilino)-2-hydroxy-propyl]ammonium Formula: C26H35N2O3S+ MolecularWeight: 455.6327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH2+]C23CC4CC(C2)CC(C4)C3)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@@H](C[NH2+]C23CC4CC(C2)CC(C4)C3)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H34N2O3S/c1-19-7-9-23(10-8-19)28(32(30,31)25-5-3-2-4-6-25)18-24(29)17-27-26-14-20-11-21(15-26)13-22(12-20)16-26/h2-10,20-22,24,27,29H,11-18H2,1H3/p+1/t20?,21?,22?,24-,26?/m1/s1