5-[4-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]butan-2-ylsulfonyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[4-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]butan-2-ylsulfonyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[3-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-1-methyl-propyl]sulfonyl-1-phenyl-tetrazole CAS Name: 5-[4-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]butan-2-ylsulfonyl]-1-phenyltetrazole IUPAC Name: 5-[4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-ylsulfonyl]-1-phenyltetrazole Traditional Name: 5-[3-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-1-methyl-propyl]sulfonyl-1-phenyl-tetrazole Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1C(=C)CCCC1(C)C)S(=O)(=O)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(CC[C@@H]1C(=C)CCCC1(C)C)S(=O)(=O)C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-15-9-8-14-20(3,4)18(15)13-12-16(2)27(25,26)19-21-22-23-24(19)17-10-6-5-7-11-17/h5-7,10-11,16,18H,1,8-9,12-14H2,2-4H3/t16?,18-/m1/s1