N-[(1S,2R,3S)-1-cyano-2-methyl-3-(oxan-2-yloxy)butyl]-4-methyl-benzenesulfinamide

Systemtic Name: N-[(1S,2R,3S)-1-cyano-2-methyl-3-(oxan-2-yloxy)butyl]-4-methyl-benzenesulfinamide Openeye Name: N-[(1S,2R,3S)-1-cyano-2-methyl-3-tetrahydropyran-2-yloxy-butyl]-4-methyl-benzenesulfinamide CAS Name: N-[(1S,2R,3S)-1-cyano-2-methyl-3-(2-oxanyloxy)butyl]-4-methylbenzenesulfinamide IUPAC Name: N-[(1S,2R,3S)-1-cyano-2-methyl-3-(oxan-2-yloxy)butyl]-4-methylbenzenesulfinamide Traditional Name: N-[(1S,2R,3S)-1-cyano-2-methyl-3-tetrahydropyran-2-yloxy-butyl]-4-methyl-benzenesulfinamide Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)NC(C#N)C(C)C(C)OC2CCCCO2

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)N[C@H](C#N)[C@@H](C)[C@H](C)OC2CCCCO2

InChI

InChI=1S/C18H26N2O3S/c1-13-7-9-16(10-8-13)24(21)20-17(12-19)14(2)15(3)23-18-6-4-5-11-22-18/h7-10,14-15,17-18,20H,4-6,11H2,1-3H3/t14-,15-,17+,18?,24-/m0/s1