4-methyl-N-[(4S)-2-methyl-8-(oxan-2-yloxy)oct-6-yn-4-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(4S)-2-methyl-8-(oxan-2-yloxy)oct-6-yn-4-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-isobutyl-5-tetrahydropyran-2-yloxy-pent-3-ynyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(4S)-2-methyl-8-(2-oxanyloxy)oct-6-yn-4-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(4S)-2-methyl-8-(oxan-2-yloxy)oct-6-yn-4-yl]benzenesulfonamide Traditional Name: N-[(1S)-1-isobutyl-5-tetrahydropyran-2-yloxy-pent-3-ynyl]-4-methyl-benzenesulfonamide Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCOC2CCCCO2)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC#CCOC2CCCCO2)CC(C)C

InChI

InChI=1S/C21H31NO4S/c1-17(2)16-19(8-4-6-14-25-21-9-5-7-15-26-21)22-27(23,24)20-12-10-18(3)11-13-20/h10-13,17,19,21-22H,5,7-9,14-16H2,1-3H3/t19-,21?/m1/s1