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

Systemtic Name: 4-[9-chloranyl-7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]benzenesulfonamide Openeye Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide CAS Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide IUPAC Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide Traditional Name: 4-(9-chloro-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H17ClN2O4S/c17-15-11-5-6-19-8-13(12(11)7-14(20)16(15)21)9-1-3-10(4-2-9)24(18,22)23/h1-4,7,13,19-21H,5-6,8H2,(H2,18,22,23)