4-[9-chloranyl-3-methyl-7,8-bis(oxidanyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzenesulfonamide

Systemtic Name: 4-[9-chloranyl-3-methyl-7,8-bis(oxidanyl)-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzenesulfonamide Openeye Name: 4-(9-chloro-7,8-dihydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide CAS Name: 4-(9-chloro-7,8-dihydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide IUPAC Name: 4-(9-chloro-7,8-dihydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide Traditional Name: 4-(9-chloro-7,8-dihydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)S(=O)(=O)N)O)O)Cl

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)S(=O)(=O)N)O)O)Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-20-7-6-12-13(8-15(21)17(22)16(12)18)14(9-20)10-2-4-11(5-3-10)25(19,23)24/h2-5,8,14,21-22H,6-7,9H2,1H3,(H2,19,23,24)