N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-4-amine Traditional Name: homoveratryl-[1-(7-mesyl-4-methyl-quinazolin-2-yl)-4-piperidyl]amine Formula: C25H32N4O4S MolecularWeight: 484.61098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H32N4O4S/c1-17-21-7-6-20(34(4,30)31)16-22(21)28-25(27-17)29-13-10-19(11-14-29)26-12-9-18-5-8-23(32-2)24(15-18)33-3/h5-8,15-16,19,26H,9-14H2,1-4H3