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

Systemtic Name: 7-[(2-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid Openeye Name: 7-(o-tolylsulfonylamino)-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid CAS Name: 7-[(2-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid IUPAC Name: 7-[(2-methylphenyl)sulfonylamino]-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid Traditional Name: 7-(o-tolylsulfonylamino)-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=CC=C1S(=O)(=O)NC2=CC3=C(C(=C2)C(=O)O)NCCCC3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C(=C2)C(=O)O)NCCCC3

InChI

InChI=1S/C18H20N2O4S/c1-12-6-2-3-8-16(12)25(23,24)20-14-10-13-7-4-5-9-19-17(13)15(11-14)18(21)22/h2-3,6,8,10-11,19-20H,4-5,7,9H2,1H3,(H,21,22)