[(1R)-7-oxidanyl-5-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,4-tetrahydrobenzo[g][1]benzazepin-1-yl]methyl methanesulfonate

Systemtic Name: [(1R)-7-oxidanyl-5-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]-1,2,3,4-tetrahydrobenzo[g][1]benzazepin-1-yl]methyl methanesulfonate Openeye Name: [(1R)-7-hydroxy-5-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepin-1-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(1R)-7-hydroxy-5-[oxo-(5,6,7-trimethoxy-1H-indol-2-yl)methyl]-1,2,3,4-tetrahydrobenzo[g][1]benzazepin-1-yl]methyl ester IUPAC Name: [(1R)-7-hydroxy-5-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepin-1-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(1R)-7-hydroxy-5-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,3,4-tetrahydrobenzo[g][1]benzazepin-1-yl]methyl ester Formula: C28H30N2O8S MolecularWeight: 554.6114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CCCC(C4=C3C=C(C5=CC=CC=C54)O)COS(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CCC[C@H](C4=C3C=C(C5=CC=CC=C54)O)COS(=O)(=O)C)OC)OC

InChI

InChI=1S/C28H30N2O8S/c1-35-23-13-17-12-20(29-25(17)27(37-3)26(23)36-2)28(32)30-11-7-8-16(15-38-39(4,33)34)24-19-10-6-5-9-18(19)22(31)14-21(24)30/h5-6,9-10,12-14,16,29,31H,7-8,11,15H2,1-4H3/t16-/m0/s1