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

Systemtic Name: [3-[2-[4-(quinolin-5-ylcarbonylamino)cyclohexyl]ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate Openeye Name: [3-[2-[4-(quinoline-5-carbonylamino)cyclohexyl]ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[2-[4-[[oxo(5-quinolinyl)methyl]amino]cyclohexyl]ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [3-[2-[4-(quinoline-5-carbonylamino)cyclohexyl]ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[2-[4-(quinoline-5-carbonylamino)cyclohexyl]ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C29H35N3O4S MolecularWeight: 521.6709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(CCN(CC2)CCC3CCC(CC3)NC(=O)C4=C5C=CC=NC5=CC=C4)C=C1

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(CCN(CC2)CCC3CCC(CC3)NC(=O)C4=C5C=CC=NC5=CC=C4)C=C1

InChI

InChI=1S/C29H35N3O4S/c1-37(34,35)36-25-12-9-22-14-18-32(19-15-23(22)20-25)17-13-21-7-10-24(11-8-21)31-29(33)27-4-2-6-28-26(27)5-3-16-30-28/h2-6,9,12,16,20-21,24H,7-8,10-11,13-15,17-19H2,1H3,(H,31,33)