3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-phenyl-2-propan-2-yl-pentanenitrile; sulfamic acid

Systemtic Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-phenyl-2-propan-2-yl-pentanenitrile; sulfamic acid Openeye Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-phenyl-pentanenitrile; sulfamic acid CAS Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-2-phenyl-2-propan-2-ylpentanenitrile; sulfamic acid IUPAC Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]-2-phenyl-2-propan-2-ylpentanenitrile; sulfamic acid Traditional Name: 3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-2-phenyl-valeronitrile; sulfamic acid Formula: C25H37N3O5S MolecularWeight: 491.64338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC=CC=C1)C(C)C)N(C)CCC2=CC(=CC(=C2)OC)OC.NS(=O)(=O)O

Isomeric SMILES

CCC(C(C#N)(C1=CC=CC=C1)C(C)C)N(C)CCC2=CC(=CC(=C2)OC)OC.NS(=O)(=O)O

InChI

InChI=1S/C25H34N2O2.H3NO3S/c1-7-24(25(18-26,19(2)3)21-11-9-8-10-12-21)27(4)14-13-20-15-22(28-5)17-23(16-20)29-6;1-5(2,3)4/h8-12,15-17,19,24H,7,13-14H2,1-6H3;(H3,1,2,3,4)