[3-[(3-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium

Systemtic Name: [3-[(3-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: [3-[N-(benzenesulfonyl)-3-methyl-anilino]-2-hydroxy-propyl]-dibenzyl-ammonium CAS Name: [3-[N-(benzenesulfonyl)-3-methylanilino]-2-hydroxypropyl]-bis(phenylmethyl)ammonium IUPAC Name: [3-[N-(benzenesulfonyl)-3-methylanilino]-2-hydroxypropyl]-dibenzylazanium Traditional Name: dibenzyl-[3-(N-besyl-3-methyl-anilino)-2-hydroxy-propyl]ammonium Formula: C30H33N2O3S+ MolecularWeight: 501.65962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O3S/c1-25-12-11-17-28(20-25)32(36(34,35)30-18-9-4-10-19-30)24-29(33)23-31(21-26-13-5-2-6-14-26)22-27-15-7-3-8-16-27/h2-20,29,33H,21-24H2,1H3/p+1