1-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]sulfonyl-N'-phenylazanyl-methanimidamide

Systemtic Name: 1-[(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]sulfonyl-N'-phenylazanyl-methanimidamide Openeye Name: N'-anilino-1-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]sulfonyl-formamidine CAS Name: N'-anilino-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylmethanimidamide IUPAC Name: N'-anilino-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylmethanimidamide Traditional Name: N'-anilino-1-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]sulfonyl-formamidine Formula: C17H27N3O2S MolecularWeight: 337.48018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)S(=O)(=O)C(=NNC2=CC=CC=C2)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1)S(=O)(=O)/C(=N/NC2=CC=CC=C2)/N)C(C)C

InChI

InChI=1S/C17H27N3O2S/c1-12(2)15-10-9-13(3)11-16(15)23(21,22)17(18)20-19-14-7-5-4-6-8-14/h4-8,12-13,15-16,19H,9-11H2,1-3H3,(H2,18,20)/t13-,15+,16+/m1/s1