5-[2-(2-methoxyphenyl)ethyl-methyl-amino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one

Systemtic Name: 5-[2-(2-methoxyphenyl)ethyl-methyl-amino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one Openeye Name: 5-[2-(2-methoxyphenyl)ethyl-methyl-amino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one CAS Name: 5-[2-(2-methoxyphenyl)ethyl-methylamino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-pentanone IUPAC Name: 5-[2-(2-methoxyphenyl)ethyl-methylamino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one Traditional Name: 1-(3-mesyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-[2-(2-methoxyphenyl)ethyl-methyl-amino]pentan-1-one Formula: C26H36N2O4S MolecularWeight: 472.64004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)C1=CC2=C(CCN(CC2)S(=O)(=O)C)C=C1)CCC3=CC=CC=C3OC

Isomeric SMILES

CN(CCCCC(=O)C1=CC2=C(CCN(CC2)S(=O)(=O)C)C=C1)CCC3=CC=CC=C3OC

InChI

InChI=1S/C26H36N2O4S/c1-27(17-13-22-8-4-5-10-26(22)32-2)16-7-6-9-25(29)24-12-11-21-14-18-28(33(3,30)31)19-15-23(21)20-24/h4-5,8,10-12,20H,6-7,9,13-19H2,1-3H3