1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-2-[(3S)-7-methyl-1-oxidanyl-oct-6-en-3-yl]guanidine

Systemtic Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-2-[(3S)-7-methyl-1-oxidanyl-oct-6-en-3-yl]guanidine Openeye Name: 2-[(1S)-1-(2-hydroxyethyl)-5-methyl-hex-4-enyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine CAS Name: 2-[(3S)-1-hydroxy-7-methyloct-6-en-3-yl]-1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylguanidine IUPAC Name: 2-[(3S)-1-hydroxy-7-methyloct-6-en-3-yl]-1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylguanidine Traditional Name: 2-[(1S)-1-(2-hydroxyethyl)-5-methyl-hex-4-enyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine Formula: C20H33N3O4S MolecularWeight: 411.55872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NC(CCC=C(C)C)CCO)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=N[C@@H](CCC=C(C)C)CCO)N)C)C)OC

InChI

InChI=1S/C20H33N3O4S/c1-13(2)8-7-9-17(10-11-24)22-20(21)23-28(25,26)19-14(3)12-18(27-6)15(4)16(19)5/h8,12,17,24H,7,9-11H2,1-6H3,(H3,21,22,23)/t17-/m0/s1