N,N-bis[(2R,4S)-5-azanyl-2,4-bis(oxidanyl)pentyl]-4-methyl-benzenesulfonamide

Systemtic Name: N,N-bis[(2R,4S)-5-azanyl-2,4-bis(oxidanyl)pentyl]-4-methyl-benzenesulfonamide Openeye Name: N,N-bis[(2R,4S)-5-amino-2,4-dihydroxy-pentyl]-4-methyl-benzenesulfonamide CAS Name: N,N-bis[(2R,4S)-5-amino-2,4-dihydroxypentyl]-4-methylbenzenesulfonamide IUPAC Name: N,N-bis[(2R,4S)-5-amino-2,4-dihydroxypentyl]-4-methylbenzenesulfonamide Traditional Name: N,N-bis[(2R,4S)-5-amino-2,4-dihydroxy-pentyl]-4-methyl-benzenesulfonamide Formula: C17H31N3O6S MolecularWeight: 405.50954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H31N3O6S/c1-12-2-4-17(5-3-12)27(25,26)20(10-15(23)6-13(21)8-18)11-16(24)7-14(22)9-19/h2-5,13-16,21-24H,6-11,18-19H2,1H3/t13-,14-,15+,16+/m0/s1