[1-[bis(phenylmethyl)amino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)-sulfonyl-azanium

Systemtic Name: [1-[bis(phenylmethyl)amino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)-sulfonyl-azanium Openeye Name: [1-(dibenzylamino)-2-hydroxy-4-phenyl-butyl]-isobutyl-sulfonyl-ammonium CAS Name: [1-[bis(phenylmethyl)amino]-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)-sulfonylammonium IUPAC Name: [1-(dibenzylamino)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)-sulfonylazanium Traditional Name: [1-(dibenzylamino)-2-hydroxy-4-phenyl-butyl]-isobutyl-sulfonyl-ammonium Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](=S(=O)=O)C(C(CCC1=CC=CC=C1)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[N+](=S(=O)=O)C(C(CCC1=CC=CC=C1)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H35N2O3S/c1-23(2)20-30(34(32)33)28(27(31)19-18-24-12-6-3-7-13-24)29(21-25-14-8-4-9-15-25)22-26-16-10-5-11-17-26/h3-17,23,27-28,31H,18-22H2,1-2H3/q+1