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

Systemtic Name: (2Z)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]ethanoic acid Openeye Name: (2Z)-2-[1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetic acid CAS Name: (2Z)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetic acid IUPAC Name: (2Z)-2-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]acetic acid Traditional Name: (2Z)-2-(1-tosyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)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)N2CCCC(=CC(=O)O)C3=CC=CC=C32

Isomeric SMILES

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

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/h2-3,6-11,13H,4-5,12H2,1H3,(H,21,22)/b15-13-