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

Systemtic Name: [9-chloranyl-5-(4-hydroxyphenyl)-8-oxidanyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] methanesulfonate Openeye Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] ester IUPAC Name: [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [9-chloro-8-hydroxy-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-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(=C2CCNCC(C2=C1)C3=CC=C(C=C3)O)Cl)O

Isomeric SMILES

CS(=O)(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=C(C=C3)O)Cl)O

InChI

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