[4-cyano-1-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-5-methyl-4-phenyl-hexyl]sulfamic acid

Systemtic Name: [4-cyano-1-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-5-methyl-4-phenyl-hexyl]sulfamic acid Openeye Name: [4-cyano-1-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-5-methyl-4-phenyl-hexyl]sulfamic acid CAS Name: [4-cyano-1-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-5-methyl-4-phenylhexyl]sulfamic acid IUPAC Name: [4-cyano-1-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-5-methyl-4-phenylhexyl]sulfamic acid Traditional Name: [4-cyano-1-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-5-methyl-4-phenyl-hexyl]sulfamic acid Formula: C25H35N3O5S MolecularWeight: 489.6275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(NS(=O)(=O)O)N(C)CCC1=CC(=CC(=C1)OC)OC)(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(CCC(NS(=O)(=O)O)N(C)CCC1=CC(=CC(=C1)OC)OC)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C25H35N3O5S/c1-19(2)25(18-26,21-9-7-6-8-10-21)13-11-24(27-34(29,30)31)28(3)14-12-20-15-22(32-4)17-23(16-20)33-5/h6-10,15-17,19,24,27H,11-14H2,1-5H3,(H,29,30,31)