4-[9-chloranyl-6-methyl-7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]benzenesulfonamide

Systemtic Name: 4-[9-chloranyl-6-methyl-7,8-bis(oxidanyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl]benzenesulfonamide Openeye Name: 4-(9-chloro-7,8-dihydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide CAS Name: 4-(9-chloro-7,8-dihydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide IUPAC Name: 4-(9-chloro-7,8-dihydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide Traditional Name: 4-(9-chloro-7,8-dihydroxy-6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl)benzenesulfonamide Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C(CNCC2)C3=CC=C(C=C3)S(=O)(=O)N)Cl)O)O

Isomeric SMILES

CC1=C(C(=C(C2=C1C(CNCC2)C3=CC=C(C=C3)S(=O)(=O)N)Cl)O)O

InChI

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