[4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepin-5-yl] ethanoate

Systemtic Name: [4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepin-5-yl] ethanoate Openeye Name: [4-acetoxy-3-(p-tolylsulfonyl)-1,2-dihydro-3-benzazepin-5-yl] acetate CAS Name: acetic acid [4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepin-5-yl] ester IUPAC Name: [4-acetyloxy-3-(4-methylphenyl)sulfonyl-1,2-dihydro-3-benzazepin-5-yl] acetate Traditional Name: acetic acid (4-acetoxy-3-tosyl-1,2-dihydro-3-benzazepin-5-yl) ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=C2OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=C2OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H21NO6S/c1-14-8-10-18(11-9-14)29(25,26)22-13-12-17-6-4-5-7-19(17)20(27-15(2)23)21(22)28-16(3)24/h4-11H,12-13H2,1-3H3