[(1R,3R,4S)-7,7-dimethyl-3-[[(2S)-2-prop-2-enyloctanoyl]amino]-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid

Systemtic Name: [(1R,3R,4S)-7,7-dimethyl-3-[[(2S)-2-prop-2-enyloctanoyl]amino]-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid Openeye Name: [(1S,2R,4R)-2-[[(2S)-2-allyloctanoyl]amino]-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid CAS Name: [(1R,3R,4S)-7,7-dimethyl-3-[[(2S)-1-oxo-2-prop-2-enyloctyl]amino]-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid IUPAC Name: [(1R,3R,4S)-7,7-dimethyl-3-[[(2S)-2-prop-2-enyloctanoyl]amino]-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid Traditional Name: [(1S,2R,4R)-2-[[(2S)-2-hexylpent-4-enoyl]amino]-7,7-dimethyl-norbornan-1-yl]methanesulfonic acid Formula: C21H37NO4S MolecularWeight: 399.58778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=C)C(=O)NC1CC2CCC1(C2(C)C)CS(=O)(=O)O

Isomeric SMILES

CCCCCC[C@@H](CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)CS(=O)(=O)O

InChI

InChI=1S/C21H37NO4S/c1-5-7-8-9-11-16(10-6-2)19(23)22-18-14-17-12-13-21(18,20(17,3)4)15-27(24,25)26/h6,16-18H,2,5,7-15H2,1,3-4H3,(H,22,23)(H,24,25,26)/t16-,17-,18-,21-/m1/s1