N-[(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)octan-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)octan-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R)-2-(benzyloxymethyl)-1-tert-butyl-hexyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)octan-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3S,4R)-2,2-dimethyl-4-(phenylmethoxymethyl)octan-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2R)-2-(benzoxymethyl)-1-tert-butyl-hexyl]-4-methyl-benzenesulfonamide Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COCC1=CC=CC=C1)C(C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC[C@@H](COCC1=CC=CC=C1)[C@@H](C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H37NO3S/c1-6-7-13-22(19-29-18-21-11-9-8-10-12-21)24(25(3,4)5)26-30(27,28)23-16-14-20(2)15-17-23/h8-12,14-17,22,24,26H,6-7,13,18-19H2,1-5H3/t22-,24-/m0/s1