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

Systemtic Name: [(5S)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] benzoate Openeye Name: [(5S)-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] benzoate CAS Name: benzoic acid [(5S)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [(5S)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] benzoate Traditional Name: benzoic acid [(5S)-1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C24H23NO4S MolecularWeight: 421.50872

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C3=CC=CC=C32)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23NO4S/c1-18-13-15-20(16-14-18)30(27,28)25-17-7-12-23(21-10-5-6-11-22(21)25)29-24(26)19-8-3-2-4-9-19/h2-6,8-11,13-16,23H,7,12,17H2,1H3/t23-/m0/s1