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

Systemtic Name: 5-[2-(2-methoxyphenyl)ethylamino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one Openeye Name: 5-[2-(2-methoxyphenyl)ethylamino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one CAS Name: 5-[2-(2-methoxyphenyl)ethylamino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-pentanone IUPAC Name: 5-[2-(2-methoxyphenyl)ethylamino]-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)ethylamino]pentan-1-one Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNCCCCC(=O)C2=CC3=C(CCN(CC3)S(=O)(=O)C)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCNCCCCC(=O)C2=CC3=C(CCN(CC3)S(=O)(=O)C)C=C2

InChI

InChI=1S/C25H34N2O4S/c1-31-25-9-4-3-7-21(25)12-16-26-15-6-5-8-24(28)23-11-10-20-13-17-27(32(2,29)30)18-14-22(20)19-23/h3-4,7,9-11,19,26H,5-6,8,12-18H2,1-2H3