N-[(2R,3S)-3-azanyl-2-oxidanyl-4-(4-phenylmethoxyphenyl)butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R,3S)-3-azanyl-2-oxidanyl-4-(4-phenylmethoxyphenyl)butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R,3S)-3-amino-4-(4-benzyloxyphenyl)-2-hydroxy-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R,3S)-3-amino-4-(4-benzoxyphenyl)-2-hydroxy-butyl]-N-isobutyl-1,3-benzodioxole-5-sulfonamide Formula: C28H34N2O6S MolecularWeight: 526.64436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H34N2O6S/c1-20(2)16-30(37(32,33)24-12-13-27-28(15-24)36-19-35-27)17-26(31)25(29)14-21-8-10-23(11-9-21)34-18-22-6-4-3-5-7-22/h3-13,15,20,25-26,31H,14,16-19,29H2,1-2H3/t25-,26+/m0/s1