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

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepin-5-yl]acetic acid CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-yl]acetic acid IUPAC Name: 2-[1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-yl]acetic acid Traditional Name: 2-(1-tosyl-2,3-dihydro-1-benzazepin-5-yl)acetic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC=C(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC=C(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C19H19NO4S/c1-14-8-10-16(11-9-14)25(23,24)20-12-4-5-15(13-19(21)22)17-6-2-3-7-18(17)20/h2-3,5-11H,4,12-13H2,1H3,(H,21,22)