N-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-(4-cyano-2,2-dimethyl-butyl)-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-N-(4-cyano-2,2-dimethyl-butyl)-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-(4-cyano-2,2-dimethyl-butyl)-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(4-cyano-2,2-dimethylbutyl)-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(4-cyano-2,2-dimethylbutyl)-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-N-(4-cyano-2,2-dimethyl-butyl)-1,3-benzodioxole-5-sulfonamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCC#N)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H31N3O5S/c1-24(2,11-6-12-25)16-27(15-21(28)20(26)13-18-7-4-3-5-8-18)33(29,30)19-9-10-22-23(14-19)32-17-31-22/h3-5,7-10,14,20-21,28H,6,11,13,15-17,26H2,1-2H3/t20-,21+/m0/s1