[3-[2-(4-azanylcyclohexyl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate

Systemtic Name: [3-[2-(4-azanylcyclohexyl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate Openeye Name: [3-[2-(4-aminocyclohexyl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-(4-aminocyclohexyl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [3-[2-(4-aminocyclohexyl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-(4-aminocyclohexyl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C19H30N2O3S MolecularWeight: 366.5181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(CCN(CC2)CCC3CCC(CC3)N)C=C1

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(CCN(CC2)CCC3CCC(CC3)N)C=C1

InChI

InChI=1S/C19H30N2O3S/c1-25(22,23)24-19-7-4-16-9-12-21(13-10-17(16)14-19)11-8-15-2-5-18(20)6-3-15/h4,7,14-15,18H,2-3,5-6,8-13,20H2,1H3