7-methylsulfonyl-N-quinolin-2-yl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide

Systemtic Name: 7-methylsulfonyl-N-quinolin-2-yl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide Openeye Name: 7-methylsulfonyl-N-(2-quinolyl)-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide CAS Name: 7-methylsulfonyl-N-(2-quinolinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide IUPAC Name: 7-methylsulfonyl-N-quinolin-2-yl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide Traditional Name: 7-mesyl-N-(2-quinolyl)-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(CCN(CC2)S(=O)(=O)NC3=NC4=CC=CC=C4C=C3)C=C1

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(CCN(CC2)S(=O)(=O)NC3=NC4=CC=CC=C4C=C3)C=C1

InChI

InChI=1S/C20H21N3O4S2/c1-28(24,25)18-8-6-15-10-12-23(13-11-17(15)14-18)29(26,27)22-20-9-7-16-4-2-3-5-19(16)21-20/h2-9,14H,10-13H2,1H3,(H,21,22)