7-[(4-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid

Systemtic Name: 7-[(4-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid Openeye Name: 7-(p-tolylsulfonylamino)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid CAS Name: 7-[(4-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid IUPAC Name: 7-[(4-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid Traditional Name: 7-(tosylamino)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)C(=O)O)NCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)C(=O)O)NCCCC3

InChI

InChI=1S/C18H20N2O4S/c1-12-5-7-15(8-6-12)25(23,24)20-14-10-13-4-2-3-9-19-17(13)16(11-14)18(21)22/h5-8,10-11,19-20H,2-4,9H2,1H3,(H,21,22)