(Z)-7-[(1S,3S,4R,5R)-6,6-dimethyl-4-[(4-phenyldiazenylphenyl)sulfonylamino]-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Systemtic Name: (Z)-7-[(1S,3S,4R,5R)-6,6-dimethyl-4-[(4-phenyldiazenylphenyl)sulfonylamino]-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid Openeye Name: (Z)-7-[(1R,2R,3S,5S)-6,6-dimethyl-2-[(4-phenylazophenyl)sulfonylamino]norpinan-3-yl]hept-5-enoic acid CAS Name: (Z)-7-[(1S,3S,4R,5R)-6,6-dimethyl-4-[(4-phenyldiazenylphenyl)sulfonylamino]-3-bicyclo[3.1.1]heptanyl]-5-heptenoic acid IUPAC Name: (Z)-7-[(1S,3S,4R,5R)-6,6-dimethyl-4-[(4-phenyldiazenylphenyl)sulfonylamino]-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid Traditional Name: (Z)-7-[(1R,2R,3S,5S)-6,6-dimethyl-2-[(4-phenylazophenyl)sulfonylamino]norpinan-3-yl]hept-5-enoic acid Formula: C28H35N3O4S MolecularWeight: 509.6602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(C(C1C2)NS(=O)(=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4)CC=CCCCC(=O)O)C

Isomeric SMILES

CC1([C@H]2C[C@@H]([C@H]([C@@H]1C2)NS(=O)(=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4)C/C=C\CCCC(=O)O)C

InChI

InChI=1S/C28H35N3O4S/c1-28(2)21-18-20(10-6-3-4-9-13-26(32)33)27(25(28)19-21)31-36(34,35)24-16-14-23(15-17-24)30-29-22-11-7-5-8-12-22/h3,5-8,11-12,14-17,20-21,25,27,31H,4,9-10,13,18-19H2,1-2H3,(H,32,33)/b6-3-,30-29?/t20-,21-,25-,27+/m0/s1