[1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] methanesulfonate

Systemtic Name: [1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] methanesulfonate Openeye Name: [1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] methanesulfonate CAS Name: methanesulfonic acid [1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] methanesulfonate Traditional Name: methanesulfonic acid (1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl) ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)OS(=O)(=O)C

InChI

InChI=1S/C18H21NO5S2/c1-14-9-11-15(12-10-14)26(22,23)19-13-5-8-18(24-25(2,20)21)16-6-3-4-7-17(16)19/h3-4,6-7,9-12,18H,5,8,13H2,1-2H3