[6-chloranyl-3-(4-hydroxyphenyl)-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] methanesulfonate

Systemtic Name: [6-chloranyl-3-(4-hydroxyphenyl)-7-oxidanyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl] methanesulfonate Openeye Name: [6-chloro-7-hydroxy-3-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] methanesulfonate CAS Name: methanesulfonic acid [6-chloro-7-hydroxy-3-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester IUPAC Name: [6-chloro-7-hydroxy-3-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-chloro-7-hydroxy-3-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C(=C2CCN(CCC2=C1)C3=CC=C(C=C3)O)Cl)O

Isomeric SMILES

CS(=O)(=O)OC1=C(C(=C2CCN(CCC2=C1)C3=CC=C(C=C3)O)Cl)O

InChI

InChI=1S/C17H18ClNO5S/c1-25(22,23)24-15-10-11-6-8-19(12-2-4-13(20)5-3-12)9-7-14(11)16(18)17(15)21/h2-5,10,20-21H,6-9H2,1H3