N-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-4-cyano-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[(2R,3S)-3-azanyl-2-oxidanyl-4-phenyl-butyl]-4-cyano-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-4-cyano-N-isobutyl-benzenesulfonamide CAS Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-cyano-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-cyano-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[(2R,3S)-3-amino-2-hydroxy-4-phenyl-butyl]-4-cyano-N-isobutyl-benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16(2)14-24(28(26,27)19-10-8-18(13-22)9-11-19)15-21(25)20(23)12-17-6-4-3-5-7-17/h3-11,16,20-21,25H,12,14-15,23H2,1-2H3/t20-,21+/m0/s1