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

Systemtic Name: 4-[9-chloranyl-7,8-bis(oxidanyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl]benzenesulfonamide Openeye Name: 4-(3-allyl-9-chloro-7,8-dihydroxy-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide CAS Name: 4-(9-chloro-7,8-dihydroxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide IUPAC Name: 4-(9-chloro-7,8-dihydroxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide Traditional Name: 4-(3-allyl-9-chloro-7,8-dihydroxy-1,2,4,5-tetrahydro-3-benzazepin-5-yl)benzenesulfonamide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)S(=O)(=O)N)O)O)Cl

Isomeric SMILES

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)S(=O)(=O)N)O)O)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-2-8-22-9-7-14-15(10-17(23)19(24)18(14)20)16(11-22)12-3-5-13(6-4-12)27(21,25)26/h2-6,10,16,23-24H,1,7-9,11H2,(H2,21,25,26)