1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-tosyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H17NO4S/c1-13-6-8-16(9-7-13)24(22,23)19-11-10-15(18(20)21)12-14-4-2-3-5-17(14)19/h2-9,12H,10-11H2,1H3,(H,20,21)