N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-4-(methylthio)benzenesulfonamide Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C23H22N2O3S2/c1-16(26)25-22-6-4-3-5-17(22)7-8-18-9-10-19(15-23(18)25)24-30(27,28)21-13-11-20(29-2)12-14-21/h3-6,9-15,24H,7-8H2,1-2H3