3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide

Systemtic Name: 3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide Openeye Name: 3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide CAS Name: 3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide IUPAC Name: 3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide Traditional Name: 3-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)NCC3=CC(=CC=C3)S(=O)(=O)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)NCC3=CC(=CC=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C21H25N3O3S/c1-27-19-6-3-5-17(13-19)21(15-22)10-8-18(9-11-21)24-14-16-4-2-7-20(12-16)28(23,25)26/h2-7,12-13,18,24H,8-11,14H2,1H3,(H2,23,25,26)