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

Systemtic Name: [(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ethanoate Openeye Name: [(5R)-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] acetate CAS Name: acetic acid [(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] acetate Traditional Name: acetic acid [(5R)-1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C3=CC=CC=C32)OC(=O)C

InChI

InChI=1S/C19H21NO4S/c1-14-9-11-16(12-10-14)25(22,23)20-13-5-8-19(24-15(2)21)17-6-3-4-7-18(17)20/h3-4,6-7,9-12,19H,5,8,13H2,1-2H3/t19-/m1/s1