4-methyl-N-[(2S,3R)-1-oxidanyl-2-[(phenylmethyl)amino]pentan-3-yl]benzenesulfinamide

Systemtic Name: 4-methyl-N-[(2S,3R)-1-oxidanyl-2-[(phenylmethyl)amino]pentan-3-yl]benzenesulfinamide Openeye Name: N-[(1R,2S)-2-(benzylamino)-1-ethyl-3-hydroxy-propyl]-4-methyl-benzenesulfinamide CAS Name: N-[(2S,3R)-1-hydroxy-2-[(phenylmethyl)amino]pentan-3-yl]-4-methylbenzenesulfinamide IUPAC Name: N-[(2S,3R)-2-(benzylamino)-1-hydroxypentan-3-yl]-4-methylbenzenesulfinamide Traditional Name: N-[(1R,2S)-2-(benzylamino)-1-ethyl-3-hydroxy-propyl]-4-methyl-benzenesulfinamide Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CO)NCC1=CC=CC=C1)NS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H]([C@@H](CO)NCC1=CC=CC=C1)N[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H26N2O2S/c1-3-18(21-24(23)17-11-9-15(2)10-12-17)19(14-22)20-13-16-7-5-4-6-8-16/h4-12,18-22H,3,13-14H2,1-2H3/t18-,19-,24+/m1/s1