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

Systemtic Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-2-[(3S)-7-methyl-1-phenylmethoxy-oct-6-en-3-yl]guanidine Openeye Name: 2-[(1S)-1-(2-benzyloxyethyl)-5-methyl-hex-4-enyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine CAS Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2-[(3S)-7-methyl-1-phenylmethoxyoct-6-en-3-yl]guanidine IUPAC Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-2-[(3S)-7-methyl-1-phenylmethoxyoct-6-en-3-yl]guanidine Traditional Name: 2-[(1S)-1-(2-benzoxyethyl)-5-methyl-hex-4-enyl]-1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-guanidine Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NC(CCC=C(C)C)CCOCC2=CC=CC=C2)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=N[C@@H](CCC=C(C)C)CCOCC2=CC=CC=C2)N)C)C)OC

InChI

InChI=1S/C27H39N3O4S/c1-19(2)11-10-14-24(15-16-34-18-23-12-8-7-9-13-23)29-27(28)30-35(31,32)26-20(3)17-25(33-6)21(4)22(26)5/h7-9,11-13,17,24H,10,14-16,18H2,1-6H3,(H3,28,29,30)/t24-/m0/s1