N-[3-(diethylamino)-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[3-(diethylamino)-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[3-(diethylamino)-2-hydroxy-4-phenyl-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-[3-(diethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[3-(diethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-(diethylamino)-2-hydroxy-4-phenyl-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C25H36N2O5S/c1-5-26(6-2)22(14-20-10-8-7-9-11-20)23(28)17-27(16-19(3)4)33(29,30)21-12-13-24-25(15-21)32-18-31-24/h7-13,15,19,22-23,28H,5-6,14,16-18H2,1-4H3